From rlahana@syntem.eerie.fr Thu Dec 4 05:39:07 1997 Received: from syntem.eerie.fr for rlahana@syntem.eerie.fr by www.ccl.net (8.8.3/950822.1) id EAA01266; Thu, 4 Dec 1997 04:45:46 -0500 (EST) Received: from roger.eerie.fr by syntem.eerie.fr via SMTP (940816.SGI.8.6.9/940406.SGI.AUTO) for id KAA16907; Thu, 4 Dec 1997 10:45:30 +0100 Date: Thu, 4 Dec 1997 10:45:30 +0100 Message-Id: <199712040945.KAA16907@syntem.eerie.fr> X-Sender: roger@syntem.eerie.fr Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: chemistry@www.ccl.net From: rlahana@syntem.eerie.fr (Roger Lahana) Subject: CCL: Atomic lipophilicity for charged atoms X-Mailer: Dear CCL'ers, Does anybody know if atomic contributions of lipophilicity are available for charged atoms - in particular in amino-acids? I will post to the list all the relevant replies. Thank you in advance, Roger **************************************************************** Dr Roger Lahana Synt:em Development Director Parc Scientifique G.Besse Molecular Modeling 30000 Nimes email: rlahana@syntem.eerie.fr France Tel: +33 (0)466 048 666 Fax: +33 (0)466 048 667 **************************************************************** Discover New Drugs, Discover Synt:em **************************************************************** From jochen@pc1.uni-duesseldorf.de Thu Dec 4 05:47:57 1997 Received: from sirene.rz.uni-duesseldorf.de for jochen@pc1.uni-duesseldorf.de by www.ccl.net (8.8.3/950822.1) id FAA01326; Thu, 4 Dec 1997 05:08:16 -0500 (EST) Received: from bacchus.pc1.uni-duesseldorf.de by sirene.rz.uni-duesseldorf.de with SMTP (local, PP); Thu, 4 Dec 1997 11:07:06 +0100 Received: by bacchus.pc1.uni-duesseldorf.de (5.65v3.2/1.1.10.5/06Jan97-0309PM) id AA00104; Thu, 4 Dec 1997 11:07:16 +0100 Date: Thu, 4 Dec 1997 11:07:16 +0100 From: Jochen Kuepper Message-Id: <9712041007.AA00104@bacchus.pc1.uni-duesseldorf.de> To: 94970459@tolka.dcu.ie, jenninaj@mh.uk.sbphrd.com Subject: Re: CCL:Re: CCL:HyperChem: Incorrect geometries in amines Cc: chemistry@www.ccl.net MIME-version: 1.0 Content-type: text/plain; charset="ISO-8859-1" Content-transfer-encoding: quoted-printable Content-Md5: EylQHlfrD52JPj8OjG9g1A== :> > I am a user of HyperChem, version 4. Whenever I use molecular = mechanics :> > with the MM+ force field, to geometry optimise molecules such as :> > Phenylamine (C6H5NH2), the geometry about the N atom is planar = rather than :> > pyramidal, i.e., an atom type of N2 is used for the nitrogen atom, = rather :> > than N3 as would be expected. I get the same result with molecules = such as :> > H2C=3DCHNH2 or H2C=3DNNH2. I also get incorrect geometries if I = initially use :> > the model builder to obtain an approximate geometry for such = molecule or :> > if I use any of the other three force fields available within = HyperChem. :> > If I initially set the atom type for the nitrogen atom to be N3, I = still :> > get an planar geometry about the nitrogen atom.=20 :> >=20 :> > However, for molecules such as methylamine and cyclohexamine, = i.e., where :> > the atom bonded to the nitrogen atom is saturated, the correct = geometry :> > and atom type are obtained for the nitrogen atom.=20 :> >=20 :> > Has anyone else experienced this problem? :>=20 :> Unless I'm missing the point here what you see is not a problem - = simply :> the correct answer. The nitrogen in these systems WILL be planar due = to :> the pi systems delocalising over all conjugated atoms. This forces = the :> nitrogen into planarity...something which won't happen with a = saturated :> system as there is no opportunity for pi orbital delocalisation. = Might I :> suggest reading something like 'A guidebook to mechanism in organic :> chemistry' by Peter Sykes which has an excellent chapter on atomic :> orbitals and hybridisation. Actually Aniline (phenylamine) in _not_ planar ! There is a complete substitution structure determined/published by = Larson ! But Andy's argumentation is ok at this level of theory (Hyperchem ?-), MM, ... ? So, that's why these calculation give 'wrong' results (in any way). Jochen PS: To be sure to have calculated something wrong, you need to measure = it !!! ----------------------------------------------------------------------- Jochen K=FCpper Heinrich-Heine-Universit=E4t D=FCsseldorf = jochen@uni-duesseldorf.de Institut f=FCr Physikalische Chemie I Universit=E4tsstrasse 1, Geb 26.43.02.19 phone ++49-211-8113681 40225 D=FCsseldorf fax ++49-211-8115195 Germany http://www-public.rz.uni-duesseldorf.de/~jochen ----------------------------------------------------------------------- From Geoffrey@averell.umh.ac.be Thu Dec 4 06:39:14 1997 Received: from jessejames.umh.ac.be for Geoffrey@averell.umh.ac.be by www.ccl.net (8.8.3/950822.1) id GAA01537; Thu, 4 Dec 1997 06:12:00 -0500 (EST) Received: from loopback by jessejames.umh.ac.be (AIX 4.1/UCB 5.64/4.03) id AA35042; Thu, 4 Dec 1997 12:13:19 +0100 Sender: Geoffrey@jessejames.umh.ac.be Message-Id: <3486904D.EEB88C97@averell.umh.ac.be> Date: Thu, 04 Dec 1997 12:13:18 +0100 From: Geoffrey Organization: Universite de Mons-Hainaut X-Mailer: Mozilla 4.03 [en] (X11; I; AIX 4.1) Mime-Version: 1.0 To: CCL CLL Subject: I'm looking for coordinates of Ru derivatives, ... Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear Ccl'ers, I' looking for the X-ray data of two inorganic compounds made off Ruthenium to study their properties. Unfortunately, my lab has no access to the cambridge crystallographic data base. Is there anyone who could help me? I would like to have the coordinates concerning the complexes: (C10H6N4)3Ru(II) = Ru(TAP)3 TAP=1,4,5,8 -tetraazaphenanthrene (C12H6N6)3Ru(II) = Ru(HAT)3 HAT = 1,4,5,8,9,12-hexaazatriphenylene Thank you very much for your help. Geoffrey -- ================================================== Geoffrey Pourtois, PhD student - Assistant ------------------------------------------------ University of Mons-Hainaut Service de Chimie des Materiaux Nouveaux 20, Place du parc 7000 Mons Belgium ------------------------------------------------ e-mail : Geoffrey@averell.umh.ac.be tel : +32 65 37 3363 fax : +32 65 37 3366 http://morris.umh.ac.be/ ================================================== From pieter.stouten@dupontmerck.com Thu Dec 4 09:39:17 1997 Received: from gatekeeper.dupontmerck.com for pieter.stouten@dupontmerck.com by www.ccl.net (8.8.3/950822.1) id JAA02297; Thu, 4 Dec 1997 09:01:53 -0500 (EST) Received: by gatekeeper.dupontmerck.com; id JAA22474; Thu, 4 Dec 1997 09:01:54 -0500 (EST) Received: from unknown(158.117.31.71) by gatekeeper.dupontmerck.com via smap (3.2) id xma022471; Thu, 4 Dec 97 09:01:45 -0500 Received: from carbon.dmpc.com by DMPHUB.dmpc.com (PMDF V5.1-10 #24771) with ESMTP id <01IQRQWV2SM8000JE0@DMPHUB.dmpc.com> for chemistry@www.ccl.net; Thu, 4 Dec 1997 09:01:42 EST Received: from [158.117.170.103] (esm170103.dmpc.com [158.117.170.103]) by carbon.dmpc.com (8.8.5/8.8.7) with ESMTP id JAA16633 for ; Thu, 04 Dec 1997 09:01:40 -0500 (EST) Date: Thu, 04 Dec 1997 09:01:39 -0500 From: Pieter Stouten Subject: Re: CCL:HyperChem: Incorrect geometries in amines In-reply-to: <9712041007.AA00104@bacchus.pc1.uni-duesseldorf.de> X-Sender: stoutepf@carbon.dmpc.com To: chemistry@www.ccl.net Message-id: X-Organization: The DuPont Merck Pharmaceutical Company MIME-version: 1.0 X-Mailer: Eudora Pro 3.1 for Macintosh Content-type: text/plain; charset="us-ascii" On 97/12/04 at 11:07 +0100, Jochen Kuepper wrote: >Actually Aniline (phenylamine) in _not_ planar ! >There is a complete substitution structure determined/published by >Larson ! > >But Andy's argumentation is ok at this level of theory (Hyperchem ?-), >MM, ... ? > There actually is at least one forcefield (MSI's CFF96) that is used in Molecular Mechancis that does have properly puckered nitrogens. Are there any other forcefields people know of, that do describe aniline etc. properly? Thanks, Pieter Stouten DuPont Merck - Computer Aided Drug Design Group Web: http://www.halcyon.com/stouten/ From bowen@CCMSD.chem.uga.edu Thu Dec 4 09:47:50 1997 Received: from charon.chem.uga.edu for bowen@CCMSD.chem.uga.edu by www.ccl.net (8.8.3/950822.1) id JAA02308; Thu, 4 Dec 1997 09:04:06 -0500 (EST) Received: from maxwell.chem.uga.edu (maxwell.chem.uga.edu [128.192.2.194]) by charon.chem.uga.edu (8.7.6/8.6.9) with SMTP id IAA20767; Thu, 4 Dec 1997 08:58:20 -0500 Date: Thu, 4 Dec 1997 08:50:29 -0500 (EST) From: "Dr. J. Phillip Bowen" X-Sender: bowen@maxwell.chem.uga.edu To: Willie Cui cc: Armel Le Bail , chemistry@www.ccl.net Subject: Lists and Noble Prizes In-Reply-To: <34864DFB.6BB1@microsimulations.com> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hello, I saw Willie Cui's E-mail message regarding the omission of Professor Norman L. Allingers name from the list. This is extremely surprising and most probably may be due to an inaccurate search. It would be of interest to know what search parameters were used to create the list. In many cases, Professor Allinger is not listed as the first author on his papers. This is a practice that I personally use. From personal experience, I know that if you are not the first author listed various searchers will not pick up your name. Perhaps this is problem. Professor Allinger has made an extraordinary impact through his pioneering work in computational chemistry, especially molecular mechanics. He has been at the forefront of applications of computational chemistry from the very beginning of the computer age. It is noteworthy that one of his publications has been listed in Current Contents as a "Citation Classic" ("Conformational Analysis. LXIX. An Improved Force Field for the Calculation of the Structures and Energies of Hydrocarbons") having been cited in over 450 publications. Also, another one of his papers ("Calculation of Molecular Structures and Energy by Force Field Methods Advances in Physical Organic Chemistry, 13, V. Gold and D. Bethell, Editors, Academic Press, 1976.) was chosen by the Citation Index as one of their most frequently cited papers. He is the founder and editor of the Journal of Computational Chemistry. According to the Citation Index, this is a "core journal" in physical chemistry and chemical physics. Moreover, the Burkert and Allinger book "Molecular Mechanics" is widely recognized as the authoritative treatment of molecular mechanics, and it seems to be cited in almost every discussion of molecular mechanics. How many research publications cite MM2 or MM3 or some program that is based on the Allinger work? Lou Allinger is a colleague and friend. He has been very influential in my career like so many of us who began using MM1 or MM2. He is a modest person who does not court the spotlight -- unlike so many of us in science. He has made a significant impact in the field of computational chemistry in terms of research, teaching, and helping to popularize the subject. While there are many theoreticians and computational chemists that are deserving of significant recognition, Professor Norman L. Allinger should be at the top of the list for a Noble Prize. Phil ********************************************************* J. Phillip Bowen, Ph.D. Professor of Chemistry and Co-Director Computational Center for Molecular Structure and Design University of Georgia Athens, Georgia 30602 Phone: 706-542-2054 FAX: 706-542-2673 EMAIL: bowen@ccmsd.chem.uga.edu ******************************************************** On Wed, 3 Dec 1997, Willie Cui wrote: > Armel, > > I took a quick look of the list and surprised to find that Allinger, NL > is not on the list. I know that his paper on MM2/MM3 are widely cited. > > In my own experience, I found the work of Allinger, Pople J, and Dewar > have most profound and practical impact on the modern computational > chemistry. The amount of insight, work, and care that went into the > three packages, MM2/MM3, Gaussian, and AMPAC/MOPAC, are just tremondous. > It will be of great excitment that they get Nobel prize. > It is not too late for Allinger and Pople yet. > > > > Armel Le Bail wrote: > > > > Willie Cui wrote: > > > > >I share you respect to Prof. Dewar and feel the lost of him passing > > >away. > > > > > >On your message, you raised a very import point that his contribution > > >to chemistry worthy of the Nobel prize. I am wondering if computational > > >chemistry is overlooked by the Nobel prize committee. > > > > You may look at the computational chemists performances and try to guess > > the next Nobel with the ISI's 1000 Most Cited Chemists list : > > http://fluo.univ-lemans.fr:8001/1000chimistes.html > > > > A kind of Pandora box... > > > > Armel Le Bail - Universite du Maine - Laboratoire des Fluorures > > CNRS UPRESA 6010 - Avenue O. Messiaen - 72085 Le Mans cedex 9 - France > > Web : http://fluo.univ-lemans.fr:8001/ > > > > -------This is added Automatically by the Software-------- > > -- Original Sender Envelope Address: armel@fluo.univ-lemans.fr > > -- Original Sender From: Address: armel@fluo.univ-lemans.fr > > CHEMISTRY@www.ccl.net: Everybody | CHEMISTRY-REQUEST@www.ccl.net: Coordinator > > MAILSERV@www.ccl.net: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73 > > Anon. ftp: www.ccl.net | CHEMISTRY-SEARCH@www.ccl.net -- archive search > > Web: http://www.ccl.net/chemistry.html > > -- > Willie Cui voice: 201-512-0486 > MicroSimulations fax: 201-512-0489 > 478 Green Mountain Road email: info@microsimulations.com > Mahwah, NJ 07430 URL: http://www.microsimulations.com > > -------This is added Automatically by the Software-------- > -- Original Sender Envelope Address: info@microsimulations.com > -- Original Sender From: Address: info@microsimulations.com > CHEMISTRY@www.ccl.net: Everybody | CHEMISTRY-REQUEST@www.ccl.net: Coordinator > MAILSERV@www.ccl.net: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73 > Anon. ftp: www.ccl.net | CHEMISTRY-SEARCH@www.ccl.net -- archive search > Web: http://www.ccl.net/chemistry.html > From armel@fluo.univ-lemans.fr Thu Dec 4 10:39:15 1997 Received: from aviion.univ-lemans.fr for armel@fluo.univ-lemans.fr by www.ccl.net (8.8.3/950822.1) id KAA02858; Thu, 4 Dec 1997 10:34:09 -0500 (EST) Received: from fluo.univ-lemans.fr by aviion.univ-lemans.fr (SMI-8.6/SMI-SVR4) id QAA13500; Thu, 4 Dec 1997 16:22:44 GMT Received: from pcb4122.univ-lemans.fr by fluo.univ-lemans.fr (AIX 3.2/UCB 5.64/4.03) id AA15319; Thu, 4 Dec 1997 16:14:53 +0100 Message-Id: <3.0.1.32.19971204163622.006ae124@fluo.univ-lemans.fr> X-Sender: armel@fluo.univ-lemans.fr X-Mailer: Windows Eudora Light Version 3.0.1 (32) Date: Thu, 04 Dec 1997 16:36:22 +0100 To: chemistry@www.ccl.net From: Armel Le Bail Subject: Re: CCL:MJS Dewar died October 10 Cc: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Willie, >I took a quick look of the list and surprised to find that Allinger, NL >is not on the list. I know that his paper on MM2/MM3 are widely cited. Allinger is on the list together with Pople and Dewar : Avrg cite Total articles Total citations Pople JA 79.80 176 14044 Dewar MJS 81.52 119 9701 Allinger NL 26.06 138 3593 Note that Physics journals as defined by ISI are not considered (see notes by the analyst, D. Pendlebury). I have made accessible the complete list of ISI's 10858 Most Cited Chemists (with the ISI benediction) via a cgi-script motor search by author name at : http://pcb4122.univ-lemans.fr/cgi-bin/perl.exe?chimistes.pl Don't tell to anybody, shhh (I bought the list 1000 US$ in association with a group of french chemists :-) otherwise my small PC server will explode. Armel Armel Le Bail - Universite du Maine - Laboratoire des Fluorures CNRS UPRESA 6010 - Avenue O. Messiaen - 72085 Le Mans cedex 9 - France Web : http://fluo.univ-lemans.fr:8001/ From ashutosh@ti.com Thu Dec 4 10:44:56 1997 Received: from gatekeep.ti.com for ashutosh@ti.com by www.ccl.net (8.8.3/950822.1) id KAA02779; Thu, 4 Dec 1997 10:15:12 -0500 (EST) Received: from dlep4.itg.ti.com ([157.170.188.63]) by gatekeep.ti.com (8.8.7) with ESMTP id JAA07988; Thu, 4 Dec 1997 09:12:31 -0600 (CST) Received: from ti (AMISRA.sc.ti.com [157.170.2.70]) by dlep4.itg.ti.com (8.8.7/8.8.7) with SMTP id JAA04364; Thu, 4 Dec 1997 09:12:23 -0600 (CST) X-Mailer: BeyondMail for Windows/Professional 2.3 MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7Bit To: CHEMISTRY@www.ccl.net, Kharroubi Mohamed From: Ashutosh Misra Subject: re: CCL:Bond Dissociation Energies Date: Thu, 4 Dec 1997 10:10:14 -0800 X-BeyondMail-Priority: 1 Message-Id: Conversation-Id: <3.0.2.32.19971126161844.00908d60@cit.enscm.fr> In-Reply-To: <3.0.2.32.19971126161844.00908d60@cit.enscm.fr> Reply-To: Ashutosh Misra X-Receipt-From-Agent: true Mohamed, You may want to look at the following papers dealing with BDE calculations. Regards, Ashutosh ------------------------------------------------------------------ 1. Benson, S. W. J. Chem. Educ. 1965, 42, 502. 2. Szwarc, M. Chem. Rev. 1950, 47, 75. 3. Golden, D. M.; Benson, S. W. Chem. Rev. 1969, 69, 125. 4. Benson, S. W.; O'Neal, H. E. Free Radicals; Wiley: New York, 1973; Vol. 2. 5. Kerr, J. A. In Handbook of Chemistry and Physics; CRC Press: Boca Raton, Fl.; 1981, pp F-222. 6. Baghal-Vayjooee, M. H.; Colussi, A. J.; Benson, S. W. J. Am. Chem. Soc. 1978, 101, 3214. 7. Baghal-Vayjooee, M. H.; Benson, S. W. J. Am. Chem. Soc. 1979, 101, 2838. 8. Baghal-Vayjooee, M. H.; Colussi, A. J.; Benson, S. W. Int. J. Chem. Kinet. 1979, 11, 147. 9. Robinson, P. J.; Holbrook, K. A. Unimolecular Reactions; Wiley: New York, 1972. 10. Bogan, D.; Setser, D., N. Fluorine-Containing Free Radicals: Kinetics and Dynamics of Reactions; Am. Chem. Soc.: Washington, D. C., 1978. 11. Luo, Y. R.; Holmes, J. L. J. Mol. Struct. (Theochem) 1993, 281, 123. ------------------------------------------------------------------------ > From: Kharroubi Mohamed , on 11/26/97 4:18 PM: > Hello! > > I would appreciate if somebody point me to books, reviews or other > sources dealing with the calculation of bond dissociation energies (BDE) > from theoretical (semi-empirical, ab initio or DFT) and experimental point > of view. > Thank you in advance. **************************************************** Ashutosh Misra, Ph.D. Phone: 972-995-7552 Air Liquide Electronics Fax : 972-995-3204 Chemicals & Services, Inc. Pager: 972-598-1274 13546 N. Central Expressway M/S 301, Dallas, TX 75243 From leclerc@tammy.harvard.edu Thu Dec 4 11:39:13 1997 Received: from tammy.harvard.edu for leclerc@tammy.harvard.edu by www.ccl.net (8.8.3/950822.1) id KAA02986; Thu, 4 Dec 1997 10:47:13 -0500 (EST) Received: (from leclerc@localhost) by tammy.harvard.edu (8.8.2/8.8.2) id KAA18007; Thu, 4 Dec 1997 10:53:33 -0500 (EST) Date: Thu, 4 Dec 1997 10:53:33 -0500 (EST) From: Fabrice Leclerc Message-Id: <199712041553.KAA18007@tammy.harvard.edu> To: chemistry@www.ccl.net In-reply-to: (message from Pieter Stouten on Thu, 04 Dec 1997 09:01:39 -0500) Subject: Re: CCL:HyperChem: Incorrect geometries in amines The Merck force field (MMFF94) does have properly puckered nitrogens as well. It gives a geometry very close to what you get with CFF96 (0.03A). From shenkin@still3.chem.columbia.edu Thu Dec 4 11:43:52 1997 Received: from mailrelay1.cc.columbia.edu for shenkin@still3.chem.columbia.edu by www.ccl.net (8.8.3/950822.1) id LAA03185; Thu, 4 Dec 1997 11:09:33 -0500 (EST) Received: from still3.chem.columbia.edu (still3.chem.columbia.edu [128.59.112.36]) by mailrelay1.cc.columbia.edu (8.8.5/8.8.5) with SMTP id LAA23476; Thu, 4 Dec 1997 11:09:26 -0500 (EST) Received: by still3.chem.columbia.edu (950413.SGI.8.6.12/930416.SGI.AUTO) id LAA08842; Thu, 4 Dec 1997 11:09:20 -0500 From: "Peter Shenkin" Message-Id: <9712041109.ZM8840@still3.chem.columbia.edu> Date: Thu, 4 Dec 1997 11:09:20 -0500 In-Reply-To: Pieter Stouten "CCL:HyperChem: Incorrect geometries in amines" (Dec 4, 9:01am) References: X-Mailer: Z-Mail (3.2.3 08feb96 MediaMail) To: Pieter Stouten , chemistry@www.ccl.net Subject: Re: CCL:HyperChem: Incorrect geometries in amines Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii On Dec 4, 9:01am, Pieter Stouten wrote: > Subject: CCL:HyperChem: Incorrect geometries in amines > On 97/12/04 at 11:07 +0100, Jochen Kuepper wrote: > > >Actually Aniline (phenylamine) in _not_ planar ! .. > There actually is at least one forcefield (MSI's CFF96) that is used in > Molecular Mechancis that does have properly puckered nitrogens. Are there > any other forcefields people know of, that do describe aniline etc. > properly? Hi, Pieter and CCL, MMFF makes sp2 N's non-planar by default as well; however, there is an option to make them planar. This option might be useful for comparing computational results to crystal structures for large molecules, where one would expect either thermal averaging or the refinement procedure to make these atoms "appear" planar. The so-called "MMFFs" (s for "static") option was added by Halgren because of demand by Merck's crystallographic group, if I recall properly. -P. -- *********** In memoriam, Stephane Grappelli, 1908 - 1997, RIP ************* * Peter S. Shenkin; Chemistry, Columbia U.; 3000 Broadway, Mail Code 3153 * ** NY, NY 10027; shenkin@columbia.edu; (212)854-5143; FAX: 678-9039 *** *MacroModel WWW page: http://www.columbia.edu/cu/chemistry/mmod/mmod.html * From renate_griffith@uow.edu.au Thu Dec 4 12:39:14 1997 Received: from wumpus.its.uow.edu.au for renate_griffith@uow.edu.au by www.ccl.net (8.8.3/950822.1) id LAA03336; Thu, 4 Dec 1997 11:44:12 -0500 (EST) Received: from [128.138.134.48] (chem8.Colorado.EDU [128.138.134.48]) by wumpus.its.uow.edu.au (8.8.7/8.8.7) with ESMTP id DAA28789 for ; Fri, 5 Dec 1997 03:44:04 +1100 (EST) X-Sender: renate@pop.uow.edu.au Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Thu, 4 Dec 1997 09:49:10 -0700 To: CHEMISTRY@www.ccl.net From: Renate Griffith Subject: helix axes in proteins Dear all, does anybody know of a program (freeware, of course : ) ) which allows me to calculate and maybe display the axes of alpha helices, the closest distance and the angle between two helices. I have the cartesian coordinates of all atoms of the helices and can convert them into most of the common file formats (pdb, sybylmol2, ...). I'll summarize, if there is enough interest. Thank you Renate Dr. Renate Griffith email: renate_griffith@uow.edu.au CURRENTLY: Department of Chemistry and Biochemistry University of Colorado at Boulder Boulder, Colorado, 80309-0215 USA fax: +1 303 492 5894 phone: +1 303 492 3597 NORMAL ADDRESS: Department of Chemistry University of Wollongong Northfields Ave Wollongong, NSW 2522 Australia fax: +61 42 214287 phone: +61 42 213516 From pieter.stouten@dupontmerck.com Thu Dec 4 12:44:56 1997 Received: from gatekeeper.dupontmerck.com for pieter.stouten@dupontmerck.com by www.ccl.net (8.8.3/950822.1) id LAA03445; Thu, 4 Dec 1997 11:51:25 -0500 (EST) Received: by gatekeeper.dupontmerck.com; id LAA23197; Thu, 4 Dec 1997 11:51:25 -0500 (EST) Received: from unknown(158.117.31.71) by gatekeeper.dupontmerck.com via smap (3.2) id xma023195; Thu, 4 Dec 97 11:51:15 -0500 Received: from carbon.dmpc.com by DMPHUB.dmpc.com (PMDF V5.1-10 #24771) with ESMTP id <01IQRWU2D900000JJ4@DMPHUB.dmpc.com>; Thu, 4 Dec 1997 11:51:14 EST Received: from [158.117.170.103] (esm170103.dmpc.com [158.117.170.103]) by carbon.dmpc.com (8.8.5/8.8.7) with ESMTP id LAA24229; Thu, 04 Dec 1997 11:51:12 -0500 (EST) Date: Thu, 04 Dec 1997 11:51:11 -0500 From: Pieter Stouten Subject: Re: CCL:HyperChem: Incorrect geometries in amines In-reply-to: <9712041109.ZM8840@still3.chem.columbia.edu> X-Sender: stoutepf@carbon.dmpc.com To: Peter Shenkin Cc: chemistry@www.ccl.net Message-id: X-Organization: The DuPont Merck Pharmaceutical Company MIME-version: 1.0 X-Mailer: Eudora Pro 3.1 for Macintosh Content-type: text/plain; charset="us-ascii" References: Pieter Stouten <"CCL:HyperChem: Incorrect geometries in amines"@DMPHUB.dmpc.com> (Dec 4, 9:01am) Hello Peter and CCL, >MMFF makes sp2 N's non-planar by default as well; however, there >is an option to make them planar. This option might be useful for >comparing computational results to crystal structures for large >molecules, where one would expect either thermal averaging or >the refinement procedure to make these atoms "appear" planar. > If by "large" you mean proteins, then there is no problem as protons are not observed (unless the structure is based on neutron diffraction data). What would the comparison tell you if you knowingly use a "wrong" force field to make the results look like crystal structures? >The so-called "MMFFs" (s for "static") option was added by Halgren >because of demand by Merck's crystallographic group, if I recall >properly. > And again we may come full circle :-). E.g. peptide bonds can to a large extent be restrained to planarity when solving crystal structures, then forcefields are fitted ("compared") to these data, the forcefields are used again in xray refinement and the world is good because all peptide links are planar. It is concerning that there is even the option to make forcefields fit the skewed crystallographic perspective (don't flame me! I was a happy crystallographer in a previous life). Cheers, Pieter *** Note my new e-mail address: pieter.stouten@dupontmerck.com *** Pieter Stouten || Nothing shocks me; Computer Aided Drug Design Group || The DuPont Merck Pharmaceutical Company || I am a scientist! P.O. Box 80500, Wilmington, DE 19880-0500 || Phone: +1 (302) 695 3515 || -- Fax: +1 (302) 695 9090 || Internet: pieter.stouten@dupontmerck.com || Indiana Jones Web: http://www.halcyon.com/stouten/ || From richard@tc.cornell.edu Thu Dec 4 13:39:14 1997 Received: from theory.tc.cornell.edu for richard@tc.cornell.edu by www.ccl.net (8.8.3/950822.1) id NAA04211; Thu, 4 Dec 1997 13:32:53 -0500 (EST) Received: from ren.tc.cornell.edu (REN.TC.CORNELL.EDU [128.84.244.22]) by theory.tc.cornell.edu (8.8.4/8.8.3/CTC-1.0) with SMTP id NAA43783; Thu, 4 Dec 1997 13:31:37 -0500 Sender: richard@TC.Cornell.EDU Message-ID: <3486F709.2847@tc.cornell.edu> Date: Thu, 04 Dec 1997 13:31:37 -0500 From: Richard Gillilan X-Mailer: Mozilla 2.02 (X11; I; IRIX 5.3 IP22) MIME-Version: 1.0 To: Peter Shenkin CC: Pieter Stouten , chemistry@www.ccl.net Subject: Re: CCL:HyperChem: Incorrect geometries in amines References: <9712041109.ZM8840@still3.chem.columbia.edu> Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Peter Shenkin wrote: > > The so-called "MMFFs" (s for "static") option was added by Halgren > because of demand by Merck's crystallographic group, if I recall > properly. > > -P. > Does anyone know if the MMFFs parameter set is published anywhere? Also, the original MMFF94 was not paramterized to reproduce liquid properties as well as say OPLS. Does anyone know if this problem has been addressed yet? Richard Gillilan richard@tc.cornell.edu From shenkin@still3.chem.columbia.edu Thu Dec 4 13:43:10 1997 Received: from mailrelay1.cc.columbia.edu for shenkin@still3.chem.columbia.edu by www.ccl.net (8.8.3/950822.1) id NAA04129; Thu, 4 Dec 1997 13:17:43 -0500 (EST) Received: from still3.chem.columbia.edu (still3.chem.columbia.edu [128.59.112.36]) by mailrelay1.cc.columbia.edu (8.8.5/8.8.5) with SMTP id NAA05719; Thu, 4 Dec 1997 13:17:31 -0500 (EST) Received: by still3.chem.columbia.edu (950413.SGI.8.6.12/930416.SGI.AUTO) id NAA10519; Thu, 4 Dec 1997 13:17:23 -0500 From: "Peter Shenkin" Message-Id: <9712041317.ZM10517@still3.chem.columbia.edu> Date: Thu, 4 Dec 1997 13:17:22 -0500 In-Reply-To: Pieter Stouten "Re: CCL:HyperChem: Incorrect geometries in amines" (Dec 4, 11:51am) References: Pieter Stouten <"CCL:HyperChem: Incorrect geometries in amines"@DMPHUB.dmpc.com> (Dec 4 9:01am) X-Mailer: Z-Mail (3.2.3 08feb96 MediaMail) To: Pieter Stouten Subject: Re: CCL:HyperChem: Incorrect geometries in amines Cc: chemistry@www.ccl.net Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Hello again, Pieter and CCL, Yes, you make several good points. On Dec 4, 11:51am, Pieter Stouten wrote: > Subject: Re: CCL:HyperChem: Incorrect geometries in amines ... > >MMFF makes sp2 N's non-planar by default as well; however, there > >is an option to make them planar. This option might be useful for > >comparing computational results to crystal structures for large > >molecules, where one would expect either thermal averaging or > >the refinement procedure to make these atoms "appear" planar. > > > If by "large" you mean proteins, then there is no problem as protons are > not observed (unless the structure is based on neutron diffraction data). Yup. It would be interesting to know whether the nonplanarity of amide N's in proteins can be detected in neutron-diffraction studies. I suspect that there is still sufficient reliance on force-field assumptions during refinement that your accusation of circular reasoning remains valid. However, there is also the point that protein crystals are very floppy, and one might expect these non-planarities, which are small, to be time-averaged out. This discussion is similar to the question whether proteins can be adequately modeled in torsional space, given reasonable rigid values of the bond lengths and angles. That question has been extensively examined, and perhaps this amide-puckering question deserves the same kind of examination. I have personally done some conformational searches on peptides using both versions of MMFF, and in some situations it did seem to make a difference. What you'd really want to know is whether two rather different overall conformations can have their relative energetic stability seriously altered by requiring the sp2 N's to be planar. -P. -- *********** In memoriam, Stephane Grappelli, 1908 - 1997, RIP ************* * Peter S. Shenkin; Chemistry, Columbia U.; 3000 Broadway, Mail Code 3153 * ** NY, NY 10027; shenkin@columbia.edu; (212)854-5143; FAX: 678-9039 *** *MacroModel WWW page: http://www.columbia.edu/cu/chemistry/mmod/mmod.html * From shenkin@still3.chem.columbia.edu Thu Dec 4 14:39:14 1997 Received: from mailrelay1.cc.columbia.edu for shenkin@still3.chem.columbia.edu by www.ccl.net (8.8.3/950822.1) id NAA04446; Thu, 4 Dec 1997 13:54:58 -0500 (EST) Received: from still3.chem.columbia.edu (still3.chem.columbia.edu [128.59.112.36]) by mailrelay1.cc.columbia.edu (8.8.5/8.8.5) with SMTP id NAA17623; Thu, 4 Dec 1997 13:54:57 -0500 (EST) Received: by still3.chem.columbia.edu (950413.SGI.8.6.12/930416.SGI.AUTO) id NAA11757; Thu, 4 Dec 1997 13:54:55 -0500 From: "Peter Shenkin" Message-Id: <9712041354.ZM11755@still3.chem.columbia.edu> Date: Thu, 4 Dec 1997 13:54:55 -0500 In-Reply-To: Richard Gillilan "Re: CCL:HyperChem: Incorrect geometries in amines" (Dec 4, 1:31pm) References: <9712041109.ZM8840@still3.chem.columbia.edu> <3486F709.2847@tc.cornell.edu> X-Mailer: Z-Mail (3.2.3 08feb96 MediaMail) To: Richard Gillilan Subject: MMFF; was: Re: CCL:HyperChem: Incorrect geometries in amines Cc: Pieter Stouten , chemistry@www.ccl.net Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii On Dec 4, 1:31pm, Richard Gillilan wrote: > Subject: Re: CCL:HyperChem: Incorrect geometries in amines ... > Does anyone know if the MMFFs parameter set is published > anywhere? J. Comp. Chem, 1996, v.17, five articles covering pages 490-641. > Also, the original MMFF94 was not paramterized to reproduce liquid > properties as well as say OPLS. Does anyone know if this problem has > been addressed yet? I believe not. -P. -- *********** In memoriam, Stephane Grappelli, 1908 - 1997, RIP ************* * Peter S. Shenkin; Chemistry, Columbia U.; 3000 Broadway, Mail Code 3153 * ** NY, NY 10027; shenkin@columbia.edu; (212)854-5143; FAX: 678-9039 *** *MacroModel WWW page: http://www.columbia.edu/cu/chemistry/mmod/mmod.html * From youkha@inpharmatics.com Thu Dec 4 15:39:16 1997 Received: from inet1.inetworld.net for youkha@inpharmatics.com by www.ccl.net (8.8.3/950822.1) id PAA05077; Thu, 4 Dec 1997 15:19:04 -0500 (EST) Received: from sydney.inpharma.com (n207211239138.inetworld.net [207.211.239.138] (may be forged)) by inet1.inetworld.net (8.8.7/8.8.7) with SMTP id MAA05472; Thu, 4 Dec 1997 12:18:43 -0800 (PST) Message-ID: <34870A88.3152@inpharmatics.com> Date: Thu, 04 Dec 1997 11:54:48 -0800 From: Philippe Youkharibache Reply-To: youkha@inpharmatics.com Organization: InPharmatics Corp. X-Mailer: Mozilla 3.01Gold (Win95; I) MIME-Version: 1.0 To: Renate Griffith CC: CHEMISTRY@www.ccl.net Subject: Re: CCL:helix axes in proteins References: Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Try DeCipher ... you can do all that statically and dynamically, but it's not freeware ! You can get it from MSI Renate Griffith wrote: > > Dear all, > > does anybody know of a program (freeware, of course : ) ) which allows me > to calculate and maybe display the axes of alpha helices, the closest > distance and the angle between two helices. I have the cartesian > coordinates of all atoms of the helices and can convert them into most of > the common file formats (pdb, sybylmol2, ...). > I'll summarize, if there is enough interest. > > Thank you > Renate > > Dr. Renate Griffith > email: renate_griffith@uow.edu.au ======================================================================= Philippe Youkharibache, Ph.D. InPharmatics Corp. e-mail: youkha@inpharmatics.com 11440 W. Bernardo Court, Suite 300 tel: (619) 530 8550 San Diego, CA 92127 fax: (619) 530 8555 ======================================================================= From lavelle@mbi.ucla.edu Wed Dec 3 21:39:07 1997 Received: from rho.ben2.ucla.edu for lavelle@mbi.ucla.edu by www.ccl.net (8.8.3/950822.1) id VAA29456; Wed, 3 Dec 1997 21:20:33 -0500 (EST) Received: from ewald.mbi.ucla.edu (ewald.mbi.ucla.edu [128.97.39.21]) by rho.ben2.ucla.edu (8.8.5/8.8.5) with SMTP id RAA97014; Wed, 3 Dec 1997 17:58:31 -0800 Received: from red5.mbi.ucla.edu by ewald.mbi.ucla.edu (5.65v3.2/1.1.10.5/09Oct97-1217PM) id AA20426; Wed, 3 Dec 1997 17:58:30 -0800 Message-Id: <3.0.32.19971203180619.00a44100@mbi.ucla.edu> X-Sender: lavelle@mbi.ucla.edu X-Mailer: Windows Eudora Pro Version 3.0 (32) Date: Wed, 03 Dec 1997 18:06:20 -0800 To: chemistry@www.ccl.net, hyperchem@hyper.com From: Laurence Lavelle Subject: Ab initio computational time. Mime-Version: 1.0 Content-Type: text/enriched; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Hi, Not much of a summary as I received one response to my initial posting, which is listed below. Thanks to Dr. L=E1szl=F3 JICSINSZKY for his=20 comments. Laurence Lavelle >>>>=20 Date: Thu, 27 Nov 1997 21:28:42 -0800 To: hyperchem@hyper.com, chemistry@www.ccl.net From: Laurence Lavelle < Subject: Ab initio computational time.=20 Hi all, Happy Thanksgiving to those in USA. I would very much appreciate any estimates (hrs) on the ab initio computational time of the following system: single point calculation, 731 basis functions, UHF, MP2, direct SCF Hardware: Dual pentium 200MHz, 256K external cache, 192MB RAM OS: Windows NT Workstation 4.0 SP3. Computational package: HyperChem 5.02 Although NT uses SMP, HyperChem is not a multithread application so the "computational system" is a single pentium 200MHz. I look forward to hearing from you. Laurence Lavelle <<<<<<<< >Date: Mon, 1 Dec 1997 10:26:46 -0500 >From: "CYCLOLAB R&D Lab." < >Subject: Ab initio computational time. >Sender: "CYCLOLAB R&D Lab." < >To: Laurence Lavelle < >Content-Disposition: inline > >Hi Laurence, > >>single point calculation, 731 basis functions, UHF, MP2, direct SCF=20 > > Once I've tried to perform an ab initio single point calculation on >alfa-cyclodextrin (C36H60O30. 390 basis function with STO-3G, direct scf, >grad, P100, HC 4.5). It takes about two weeks, but though the calculation >did not finish, because some hw errors (the cooler of CPU went wrong), I >was very close to the final step. > > The computation time increases in second order, that means, e.g. in=20 my >computer the calculation on your molecule on bases like above would take ~4 >times more than in case of alpha-cyclodextrin (8 weeks). The UHF+MP2 about >duplicates the calculation time, i.e. -> ~16 weeks. You are using a P200 >machine, which approximately halves the calculation time comparing with my >machine (->~8 weeks), under Win'95. The HC runs ~70 % speed of HC4.5, that >means, your time increases with about three weeks (->11 weeks). Some >slowing factors are within NT4 (about 60 % slower than Win'95 with a native >[32bit] application), i. e. my opinion is that your calculation takes at >least 10 weeks but not more than 20 weeks. > > Not so inspiring. > > I would propose a solution: cut smaller parts your molecule. In that case >you may calculate an approximative result, but much more faster (e.g. you >may save dielectric integrals, if you have a large HD. As far as I know, >the NT can handle larger than 2 GB HD partitions). Otherwise, I do not know >any ab initio calculations such a big molecule. It is enough large for a >Cray machine, as well. > > > Regards, Laszlo > >----------------------------------------------------------- >Dr. L=E1szl=F3 JICSINSZKY >Head of Synth. Dept. >CYCLOLAB R&D Lab. Ltd. >H-1525 Budapest, P.O. Box: 435 >XI. Domb=F3v=E1ri =FAt 5-7 >email: cyclolab@compuserve.com >Tel./Fax: (36-1)-206-51-36 or (36-1)-206-51-37 >----------------------------------------------------------- > >
""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""= """""""""""""""" Laurence Lavelle, Ph.D. University of California Los Angeles Molecular Biology Institute, and Department of Chemistry & Biochemistry=20 Laboratory of Structural Biology & Molecular Medicine Los Angeles, CA 90095-1570, USA =20 Email:LAVELLE@MBI.UCLA.EDU Phone (Lab): (310) 206-8270 Phone (Office): (310) 825-2083 Fax: (310) 267-1957 http://www.doe-mbi.ucla.edu/people/lavelle/lavelle.html """"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""= """""""""""""""" It will be a great day when schools have all the money they need, and the military has bake day sales. In nature's infinite book of secrecy A little I can read.
From ccl@www.ccl.net Wed Dec 3 22:39:03 1997 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.8.3/950822.1) id VAA29566; Wed, 3 Dec 1997 21:51:55 -0500 (EST) Received: from gatekeeper.es.dupont.com for fredvc@esalp1.dnet.dupont.com by bedrock.ccl.net (8.8.6/950822.1) id VAA10139; Wed, 3 Dec 1997 21:51:50 -0500 (EST) From: Received: from ns1.es.dupont.com (ns1.es.dupont.com [138.196.90.13]) by gatekeeper.es.dupont.com with SMTP id VAA00305 for ; Wed, 3 Dec 1997 21:51:52 -0500 Received: by ns1.es.dupont.com; id AA20742; Wed, 3 Dec 97 21:46:35 -0500 Message-Id: <9712040246.AA20742@ns1.es.dupont.com> Received: from esalp1.dnet; by esds01.dnet; Wed, 3 Dec 97 21:51:51 EST Date: Wed, 3 Dec 97 21:51:51 EST To: smtp%"jenninaj@mh.uk.sbphrd.com"@cdmhvx.dnet.dupont.com Cc: mail11:;@ccl.net (@dis:chem), fredvc@esalp1.dnet.dupont.com Apparently-To: chemistry@ccl.net Subject: RE: CCL:Re: CCL:HyperChem: Incorrect geometries in amines I think the MM+ forcefield is OVERcompensating for the interaction betwen the nitrogen atom & the pi-system. If memory serves, the geometry around the N in aniline is "more planar" than in methyl amine, but not "truly planar". I would recommend checking the literature for structural studies on aniline, or running ab initio calculations [6-31G(p,d) or DZP at least] optimizing aniline & cyclohexylamine to check this. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ FREDERIC A. VAN-CATLEDGE Scientific Computing Division || Office: (302) 695-1187 or 529-2076 Central Research & Development Dept. || The DuPont Company || FAX: (302) 695-9658 P. O. Box 80320 || Wilmington DE 19880-0320 || Internet: fredvc@esvax.dnet.dupont.com -------------------------------------------------------------------------------- Opinions expressed in this electronic message should ***> NOT <*** be taken to represent the official position(s) of the DuPont Company. *****> ANY OPINIONS EXPRESSED ARE THE PERSONAL VIEWS OF THE AUTHOR ONLY. <***** ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ From fgonzale@lauca.usach.cl Thu Dec 4 16:39:15 1997 Received: from ralun.usach.cl for fgonzale@lauca.usach.cl by www.ccl.net (8.8.3/950822.1) id QAA05837; Thu, 4 Dec 1997 16:21:38 -0500 (EST) Received: from lauca.usach.cl (lauca.usach.cl [158.170.64.28]) by ralun.usach.cl (8.8.5/8.8.8) with ESMTP id SAA05564 for ; Thu, 4 Dec 1997 18:21:34 -0300 (CDT) Received: (from fgonzale@localhost) by lauca.usach.cl (8.6.12/8.6.12) id SAA09510; Thu, 4 Dec 1997 18:27:32 -0300 Date: Thu, 4 Dec 1997 18:27:32 -0300 (CDT) From: Fdo Danilo Gonzalez Nilo To: chemistry@www.ccl.net Subject: Xmol on O2 SGI Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi All! I trying to run XMOL on a SGI O2, but when I run it, an error message "Wrong Architecture" appears. Can anybody help me to solve this problem? Thanks a Lot!! Fdo. Danilo Gonzalez N. University of Santiago de Chile Faculty of Chemistry and Biology, Computational Chemistry Lab. Casilla 40, Correo 33, Santiago, Chile Fono: (562) 681 2575 Anexo:799 E-mail : fgonzale@lauca.usach.cl Fax : (562) 681 2108 URL : http://quimbio.usach.cl/~danilo/ ************************************************************************** From norge@karin.fmq.uh.edu.cu Thu Dec 4 16:42:09 1997 Received: from fax.ceniai.inf.cu for norge@karin.fmq.uh.edu.cu by www.ccl.net (8.8.3/950822.1) id PAA05559; Thu, 4 Dec 1997 15:54:37 -0500 (EST) Received: from ceniai.inf.cu by fax.ceniai.inf.cu with esmtp (Smail3.2) id m0xdiHq-000M13C; Thu, 4 Dec 1997 15:54:18 -0500 (CST) Received: from fmq.uh.edu.cu by ceniai.inf.cu with bsmtp (Smail3.2) id m0xdiKe-000ArLC; Thu, 4 Dec 1997 15:57:12 -0500 (CST) Received: from ffserver by ffuh with smtp (Smail3.1.29.1 #23 fisuh.fmr.uh.cu ) id m0xdfpH-000KfiC; Thu, 4 Dec 97 13:16 CST Received: from karin.fmq.uh.edu.cu by ffserver with smtp (Smail3.1.29.1 #1 fisuh.fmq.uh.edu.cu ) id m0xdfSV-0004nXC; Thu, 4 Dec 97 12:53 CST Received: (from norge@localhost) by karin.fmq.uh.edu.cu (8.6.12/8.6.9) id OAA12548; Thu, 4 Dec 1997 14:15:58 -0500 Date: Thu, 4 Dec 1997 14:15:57 -0500 (CST) From: Norge Cruz Hernández To: CHEMISTRY@www.ccl.net Subject: Help on bielectronic integrals. Message-ID: MIME-Version: 1.0 Content-Type: MULTIPART/MIXED; BOUNDARY="127467777-66480178-881262957=:12478" Content-Transfer-Encoding: 8bit This message is in MIME format. The first part should be readable text, while the remaining parts are likely unreadable without MIME-aware tools. Send mail to mime@docserver.cac.washington.edu for more info. --127467777-66480178-881262957=:12478 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear CCL friends : I am interesed in solve one of the bielectronic integral, using the Laguerre polinomial in the wave function and exponential function. The exact integral is in the Attchmnt. This is in .doc file. I would like to solve the problem in analitic hand or in numerical form. Any of your help will be very importan for me. Best regard Norge --127467777-66480178-881262957=:12478 Content-Type: APPLICATION/octet-stream; name="alain.doc" Content-Transfer-Encoding: BASE64 Content-ID: Content-Description: 0M8R4KGxGuEAAAAAAAAAAAAAAAAAAAAAPgADAP7/CQAGAAAAAAAAAAAAAAAB AAAACgAAAAAAAAAAEAAADQAAAAIAAAD+////AAAAAAsAAAD///////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////9SAG8AbwB0ACAARQBuAHQAcgB5AAAAAQAATU1T V29yZFdpbjIsIFdvcmQgcGFyYSBXaW5kb3dzIDIuMCwgQzpcFgAFAf////// ////AQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGB3lt0AvQHAs3CX3QC9AQ4A AACAIwAAQSwgQ1cAbwByAGQARABvAGMAdQBtAGUAbgB0AAAAFADYAhQARQBN AFAAXAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAaAAIBAgAAAAMAAAD///// AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAQAAAA AAAATwBiAGoAZQBjAHQAUABvAG8AbAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAABYAAQH//////////wYAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAPC6spbdAL0B8Lqylt0AvQEAAAAAAAAAAAAAAAAFAFMA dQBtAG0AYQByAHkASQBuAGYAbwByAG0AYQB0AGkAbwBuAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAKAACAf////8EAAAA/////wAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAADQAQAAAAAAAAwAAAD9////AwAA AAQAAAAFAAAABgAAAAcAAAAIAAAACQAAAP7//////////////xAAAAAqAAAA DwAAAB8AAAAZAAAA//////////////////////////////////////////8a AAAAGwAAABwAAAAdAAAAHgAAAP7///8gAAAAIQAAACIAAAAjAAAAJAAAACUA AAAmAAAAJwAAACgAAAApAAAAKwAAAP7///8sAAAALQAAAC4AAAAvAAAA/v// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// ////////3KVoAFfgCgQAAAAAZQAAAAAAAAAAAAAAAAMAALkDAABoCgAAAAAA AAAAAAAAAAAAAAAAALkAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAIAAB0AAAAAAgAAHQAAAB0CAAAAAAAAHQIAAAAAAAAdAgAAAAAAAB0 CAAAAAAAAHQIAAAUAAAAnggAAAAAAACeCAAAAAAAAJ4IAAAAAAAAnggAAAAA AACeCAAAAAAAAJ4IAAAKAAAAqAgAAAoAAACeCAAAAAAAAKQJAAAxAAAAsggA AEwAAAD+CAAAAAAAAP4IAAAAAAAA/ggAAAAAAAD+CAAAAAAAAP4IAAAAAAAA /ggAAAAAAAD+CAAAAAAAAIQJAAACAAAAhgkAAAAAAACGCQAAAAAAAIYJAAAA AAAAhgkAAAAAAACGCQAAAAAAAIYJAAAeAAAA1QkAAFgAAAAtCgAAOwAAAKQJ AAAAAAAAAAAAAAAAAAAAAAAAAAAAAHQIAAAAAAAA/ggAAAAAAAAAAAIAAwAB AAEA/ggAAAAAAAD+CAAAAAAAAAAAAAAAAAAAAAAAAAAAAAD+CAAAAAAAAP4I AAAAAAAApAkAAAAAAABcCQAAAAAAAHQIAAAAAAAAdAgAAAAAAAD+CAAAAAAA AAAAAAAAAAAAAAAAAAAAAACyCAAAAAAAAFwJAAAAAAAAXAkAAAAAAABcCQAA AAAAAP4IAABeAAAAdAgAAAAAAAD+CAAAAAAAAHQIAAAAAAAA/ggAAAAAAACE CQAAAAAAAAAAAAAAAAAAwLNwl90AvQGICAAACAAAAJAIAAAOAAAAdAgAAAAA AAB0CAAAAAAAAHQIAAAAAAAAdAgAAAAAAAD+CAAAAAAAAIQJAAAAAAAAXAkA ACgAAABcCQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAEyBJTkNSVVNUQVIgRXF1YXRpb24uMiAgFAEVDQ0Nd2hlcmWg Og0NEyBJTkNSVVNUQVIgRXF1YXRpb24uMiAgFAEVDQ13aGVyZaA6DRMgSU5D UlVTVEFSIEVxdWF0aW9uLjIgIBQBFSBhcmUgY29uc3RhbnMgDQ1hbmQgDQ0T IElOQ1JVU1RBUiBFcXVhdGlvbi4yICAUARUgYXJlIHRoZSBMYWd1ZXJyZSBw b2xpbm9taWFscw0NDQ0VAKTQL6XgPaalBqelBqiJBamJBaoAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAADAAAB AwAAGAMAABkDAAAaAwAAGwMAACcDAAAoAwAAPwMAAEADAABBAwAAQgMAAEwD AABNAwAAZAMAAGUDAABmAwAAZwMAAH0DAAB+AwAAlQMAAJYDAACXAwAAmAMA ALkDAADdAwAA+wDz7PsA+wDk3fsA+wDVzvsA+wDGv/sAvQAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAJ1AQANdQFEBOklMThl7v9LAQ91AUQE6SUxOGEABHYB SwENdQFEBK4lMThl7v9LAQ91AUQEriUxOGEABHYBSwENdQFEBMIkMThl8v9L AQ91AUQEwiQxOGEABHYBSwENdQFEBJMiMThl3P9LAQ91AUQEkyIxOGEABHYB SwEIdQFEBAAAAAAZAAMAABwDAAAdAwAAHgMAACYDAAAnAwAAQwMAAEQDAABM AwAAdgMAAHcDAAB8AwAAfQMAALYDAAC3AwAAuAMAALkDAAD+AAGDIt8C/gAB gyLwAP4AAYMi8AD+AAGDIvAA/gABgyLwAP4AAYMiWAL+AAGDIvAA/gABgyLw AP4AAYMilQH+AAGDIvAA/gABgyLwAP4AAYMi8AD+AAGDIuAB/gABgyLwAP4A AYMi8AD+AAGDIvAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAABAOAA8ACAABAEsADwAAAAAA GgAAQPH/AgAaAAZOb3JtYWwAAgAAAAMAYQoEAAAAAAAAAAAAAAAAAAAAAAAA ACwAQUDy/6EALAAgRnVlbnRlIGRlIHDhcnJhZm8gcHJlZGV0ZXJtaW5hZGEA AAAAAAAAAAAAAAAAAAC5AAAABAC5AwAAAAD/////AQAEIP//AQAAAAAAuQAA AAAAAAAAAAADAADdAwAAAgAAAwAAuQMAAAMAAAAAABgAAAAaAAAAJwAAAD8A AABBAAAATAAAAGQAAABmAAAAfQAAAJUAAACXAAAAuQAAABM6lP+VgBM6lP+V gBM6lP+VgBM6lP+VgAAAAAAeAAAAIwAAAEQAAABJAAAAbAAAAHQAAAB3AAAA egAAAJ0AAACgAAAAoQAAAKkAAACqAAAAtQAAALsAAAAHABwABwAcAAcAHAAH ABwABwAcAAcAHAAHABwABwAoABNNYXJpbyBQaXJpcyBTaWx2ZXJhEUM6XFRF TVBcYWxhaW4uZG9j/0ADgAEAuAAAALgAAAAHAAEAAAC4AAAAAAAAALgAAAAx ABUWkAEAAFRpbWVzIE5ldyBSb21hbgAMFpABAgBTeW1ib2wACyaQAQAAQXJp YWwAIgAEAEEIiBgAANACAABoAQAAAAA1IxyGNSMchgAAAAABAAAAAAAaAAAA mAAAAAEAAQAAAAQAgxABAAAAAAAAAAAAAAABAAEAAAABAAAAAAAAAOwiAAAA ADsAAAABIAAAABNNYXJpbyBQaXJpcyBTaWx2ZXJhE01hcmlvIFBpcmlzIFNp bHZlcmEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAFIAbwBvAHQAIABFAG4AdAByAHkAAAABAABNTVNXb3JkV2luMiwg V29yZCBwYXJhIFdpbmRvd3MgMi4wLCBDOlwWAAUB//////////8BAAAAAAkC AAAAAADAAAAAAAAARgAAAAAAYHeW3QC9ASCXh5fdAL0BDgAAAAAkAABBLCBD VwBvAHIAZABEAG8AYwB1AG0AZQBuAHQAAAAUANgCFABFAE0AUABcAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAABoAAgECAAAAAwAAAP////8AAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAABAAAAAAAABPAGIAagBl AGMAdABQAG8AbwBsAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAFgABASEAAAD/////BgAAAAAAAAAAAAAAAAAAAAAAAAAA AAAA8Lqylt0AvQHwurKW3QC9AQAAAAAAAAAAAAAAAAUAUwB1AG0AbQBhAHIA eQBJAG4AZgBvAHIAbQBhAHQAaQBvAG4AAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAoAAIB/////wQAAAD/////AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAABAAAANABAAAAAAAA//////////8DAAAABAAAAAUAAAAG AAAABwAAAAgAAAAJAAAA/v///wwAAAD9////EAAAABIAAAAPAAAAHwAAABkA AAD+/////v////7//////////////////////////////xoAAAAbAAAAHAAA AB0AAAARAAAA/////yAAAAAhAAAAIgAAACMAAAAkAAAAJQAAACYAAAAnAAAA KAAAACkAAAArAAAA/////ywAAAAtAAAALgAAABMAAAD///////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////8FAEQA bwBjAHUAbQBlAG4AdABTAHUAbQBtAGEAcgB5AEkAbgBmAG8AcgBtAGEAdABp AG8AbgAAAP7///8AAAAAOAACAP///////////////wQAAAAAAAAABAAAAOxz AAD7////AAAAAAAAAAAAAAAAAAAAAAAAAADUAAAA7JUAAF8AOQA0ADIANwA0 ADQAMgAxADEAAAAAADB1AABgAQAAgACAAOyVAAD8////AAAAAAcAfwABAAAA fAAAAAAAAAAWAAEB//////////8cAAAAABcCAAAAAADAAAAAAAAARgAAAADw urKW3QC9AXAKxZbdAL0B/v///wAAAAD/////XwA5ADQAMgA3ADQANAA3ADcA MAAAAP///v///wAAAAD//////v///wAAAAD//////v///wAAAAAAAAAA7JUA ABYAAQEFAAAABwAAABYAAAAAFwIAAAAAAMAAAAAAAABGAAAAADAyzpbdAL0B 0O3blt0AvQH+////AAAAAP////9fADkANAAyADcANAA1ADAAMAA2AAAA///+ ////AAAAAP/////+////AAAAAP/////+////AAAAAAAAAADslQAAFgABAf// //8IAAAAEAAAAAAXAgAAAAAAwAAAAAAAAEYAAAAA0O3blt0AvQFwqemW3QC9 AQACCQD/Af//IOzTdwEAAAACAAAAAwAAAP7///8FAAAABgAAAAcAAAAIAAAA CQAAAAoAAAALAAAA/v////7///8OAAAA/v///xAAAAD+////EgAAABMAAAAU AAAAFQAAABYAAAAXAAAAGAAAABkAAAAaAAAAGwAAABwAAAAdAAAA/v///x8A AAD+/////v////7///8jAAAA/v///yUAAAD+////JwAAACgAAAApAAAAKgAA ACsAAAAsAAAALQAAAP7///8vAAAA/v////7////+////MwAAADQAAAA1AAAA /v///zcAAAD+////OQAAADoAAAA7AAAAPAAAAD0AAAA+AAAAPwAAAEAAAABB AAAAQgAAAEMAAABEAAAARQAAAEYAAABHAAAASAAAAEkAAABKAAAASwAAAEwA AABNAAAATgAAAE8AAABQAAAAUQAAAP7///9TAAAA/v////7////+////VwAA AFgAAABZAAAAWgAAAFsAAABcAAAAXQAAAF4AAAD+////YAAAAP7///9iAAAA YwAAAGQAAABlAAAAZgAAAGcAAABoAAAAaQAAAGoAAABrAAAAbAAAAG0AAABu AAAAbwAAAHAAAABxAAAAcgAAAHMAAAB0AAAAdQAAAHYAAAB3AAAAeAAAAHkA AAB6AAAAewAAAHwAAAB9AAAAfgAAAH8AAACAAAAA/v8AAAMzAgAAAAAAAAAA AAAAAAAAAAAAAQAAAALVzdWcLhsQk5cIACss+a4wAAAApAAAAAgAAAABAAAA SAAAAA8AAABQAAAABAAAAGAAAAAFAAAAaAAAAAYAAABwAAAACwAAAHgAAAAQ AAAAgAAAAAwAAACIAAAAAgAAAOQEAAAeAAAABQAAAExRQ1QAZCBmAwAAAAA+ AAADAAAAAQAAAAMAAAABAAAACwAAAAAAAAALAAAAAAAAAAwQAAACAAAAHgAA AAIAAAAgAAMAAAAAAAAAAADQzxHgobEa4QAAAAAAAAAAAAAAAAAAAAA+AAMA /v8JAAYAAAAAAAAAAAAAAP7/AAADMwIAAAAAAAAAAAAAAAAAAAAAAAEAAADg hZ/y+U9oEKuRCAArJ7PZMAAAAKABAAASAAAAAQAAAJgAAAACAAAAoAAAAAMA AACsAAAABAAAALgAAAAFAAAA1AAAAAYAAADgAAAABwAAAOwAAAAIAAAAAAEA AAkAAAAcAQAAEgAAACgBAAAKAAAAUAEAAAsAAABcAQAADAAAAGgBAAANAAAA dAEAAA4AAACAAQAADwAAAIgBAAAQAAAAkAEAABMAAACYAQAAAgAAAOQEAAAe AAAAAgAAACAAAAAeAAAAAQAAAAAAAAAeAAAAFAAAAE1hcmlvIFBpcmlzIFNp bHZlcmEAHgAAAAEAAAAAAAAAHgAAAAEAAAAAAAAAHgAAAAsAAABOT1JNQUwu RE9UAAAeAAAAFAAAAE1hcmlvIFBpcmlzIFNpbHZlcmEAHgAAAAIAAAAxAAAg HgAAAB4AAABNaWNyb3NvZnQgV29yZCBmb3IgV2luZG93cyA5NQAAAEAAAAAA AAAAAAAAAEAAAAAAAAAAAAAAAEAAAAAAJsd13QC9AUAAAAAAJsd13QC9AQMA AAABAAAAAwAAABoAAAADAAAAmAAAAAMAAAAAAAAA0M8R4KGxGuEAAAAAAAAA AAAAAAAAAAAAPgADAP7/CQAGAAAAAAAAAAAAAAABAAAAAAADANDPEeChsRrh AAAAAAAAAAAAAAAAAAAAAD4AAwD+/wkABgAAAAAAAAAAAAAAAQAAAAoAAAAA AAAAABAAABwAAAACAJ7ARwAAAIi9FADUtxQAAAAAANC4FAACAQECAQoBEoNM Aw8CAAsBEoNrAAEDBAAAARKDbAAClmEClmIAAAAKAwEAAAESg3IDDwAACxEB AogyAAAACgKWKAKWKQAAANDPEeChsRrhAAAAAAAAAAAAAAAAAAAAAD4AAwD+ AQD+/wMKAAD/////ABcCAAAAAADAAAAAAAAARhcAAABNaWNyb3NvZnQgRWN1 YWNp824gMi4wAAwAAABEUyBFcV8AOQA0ADIANwA0ADUAMAA2ADUAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAWAAEA//// //////8KAAAAABcCAAAAAADAAAAAAAAARgAAAABg8+uW3QC9AQCv+ZbdAL0B AAAAAAAAAAAAAAAAAQBPAGwAZQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAoAAgH///////////// //8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAFAAA AAAAAAADAFAASQBDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACgACAQkAAAAMAAAA/////wAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAB4AAABMAAAAAAAAAAMA TQBFAFQAQQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAMAAIB////////////////AAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEQAAABIDAAAAAAAAAwBPAGIAagBJ AG4AZgBvAAAAeQAAAAEAAE1NU1dvcmRXaW4yLCBXb3JkIHBhcmEgV2luZG93 cyAyLjAsIEM6XBIAAgD///////////////8AAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAABVAAAABAAAAEEsIEMBAEMAbwBtAHAATwBiAGoA AABlAG4AdAAAABQA2AIUAEUATQBQAFwAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAEgACAP///////////////wAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAI4AAABsAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA ////////////////AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAD///////// //////8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAACBAAAAggAAAIMAAACEAAAAhQAAAIYAAACHAAAAiAAAAIkAAACK AAAA/v///4wAAAD+/////v///48AAAD+//////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// /////////////////////////////////wACAAIAEFN5bWJvbAB3+BXyd/// //8g5BIA2efudwAAAAAMAAAABAAAAC0BAQAEAAAA8AECAAkAAAAyCvsC5wMB AAAA8gCQAAkAAAAyCvsCPwABAAAA8gCQAAoAAAAmBg8ACgD/////AQAAAAAA HAAAAPsCEAAHAAAAAAC8AgAAAAABAgIiU3lzdGVtAACmXvh3gO4SACcAAABw Avd/eD4VAKTq7ncEAAAALQECAAQAAADwAQEAAwAAAAAA0M8R4EwAAAAAAAAA AAAIAD4kAAAZBQAAjBQAAOQCAAAAAAAAAAAAAAAAAAAAAAAA6AMAAOgDAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAADQzxHgobEa4QAAAAAAAAAAAAAAAAAA AAA+AAMA/v8JAAYAAAAAAAAAAAAAAAEAAAAKAAAAAQAAAgAAAAAAAAAAAAAA AAAAAADQzxHgobEa4QAAAAAAAAAAAAAAAAAAAAA+AAMA/v8JAAYAAAAAAAAA AAAAAAEA/v8DCgAA/////wAJAgAAAAAAwAAAAAAAAEYaAAAARG9jdW1lbnRv IE1pY3Jvc29mdCBXb3JkIAAKAAAATVNXb3JkRG9jABAAAABXb3JkLkRvY3Vt ZW50LjYA9DmycQAAAAAAAAAAAAAAANDPEeChsRrhAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAQwBvAG0A cABPAGIAagAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAASAAIACwAAAA0AAAD/////AAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAADwAAAGYAAAAAAAAARQBxAHUAYQB0AGkAbwBu ACAATgBhAHQAaQB2AGUAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAACAAAgEOAAAA//////////8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAANAAAAYwAAAAAAAAADAE8AYgBqAEkAbgBmAG8AAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEgAC AP///////////////wAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAwAAAAEAAAAAAAAAAEATwBsAGUAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAKAAIB//////// ////////AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAMAAA ABQAAAAAAAAAAwBQAEkAQwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAoAAgEPAAAAEgAAAP////8A AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAuAAAATAAAAAAA AAADAE0ARQBUAEEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAADAACAf///////////////wAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACYAAAD2AQAAAAAAAAEAQwBv AG0AcABPAGIAagAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAASAAIAEQAAABMAAAD/////AAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAJAAAAGYAAAAAAAAARQBxAHUAYQB0AGkA bwBuACAATgBhAHQAaQB2AGUAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAACAAAgEUAAAA//////////8AAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAiAAAARAAAAAAAAAADAE8AYgBqAEkAbgBmAG8AAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA EgACAP///////////////wAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAACEAAAAEAAAAAAAAAAEATwBsAGUAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAKAAIB//// ////////////AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA VAAAABQAAAAAAAAAAwBQAEkAQwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAoAAgEVAAAAGAAAAP// //8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABSAAAATAAA AAAAAAADAE0ARQBUAEEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAADAACAf///////////////wAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAADgAAAB8BgAAAAAAAAEA QwBvAG0AcABPAGIAagAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAASAAIAFwAAABkAAAD/////AAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAANgAAAGYAAAAAAAAARQBxAHUAYQB0 AGkAbwBuACAATgBhAHQAaQB2AGUAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAACAAAgEaAAAA//////////8AAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAyAAAA+gAAAAAAAAADAE8AYgBqAEkAbgBmAG8A AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAEgACAP///////////////wAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAADEAAAAEAAAAAAAAAAEATwBsAGUAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAKAAIB ////////////////AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAjQAAABQAAAAAAAAAAwBQAEkAQwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAoAAgEbAAAAHgAA AP////8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACLAAAA TAAAAAAAAAADAE0ARQBUAEEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAADAACAf///////////////wAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGEAAAB8CgAAAAAA AAEAQwBvAG0AcABPAGIAagAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAASAAIAHQAAAB8AAAD/////AAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAXwAAAGYAAAAAAAAARQBxAHUA YQB0AGkAbwBuACAATgBhAHQAaQB2AGUAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAACAAAgEgAAAA//////////8AAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAABWAAAAAgIAAAAAAAADAE8AYgBqAEkAbgBm AG8AAAB5AAAAAQAATU1TV29yZFdpbjIsIFdvcmQgcGFyYSBXaW5kb3dzIDIu MCwgQzpcEgACAP///////////////wAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAFUAAAAEAAAAQSwgQ1cAbwByAGQARABvAGMAdQBtAGUA bgB0AAAAFADYAhQARQBNAFAAXAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAA////////////////AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAD///// //////////8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAP////////////// /wAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAHVhdGlvbgALAAAARXF1YXRpb24uMgD0ObJxAAAAAAAAAAAAAAAA0M8R 4KGxGuEAAAAAAAAAAAAAAAAAAAAAPgAIADwFTgMAAAEACQAAA4UBAAADABwA AAAAAAUAAAAJAgAAAAAEAAAAAgEBAAUAAAABAv///wAEAAAALgEYAAUAAAAx AgEAAAAFAAAACwIAAAAABQAAAAwCAAPABBIAAAAmBg8AGgD/////AAAQAAAA wP///67///+ABAAArgIAAAsAAAAmBg8ADABNYXRoVHlwZQAAkAAIAAAA+gIA AAkAAAAAAAAABAAAAC0BAAAFAAAAFAJSACwBBQAAABMCbAEsAQUAAAAUAlIA ugEFAAAAEwJsAboBHAAAAPsCVv3bAAAAAACQAQAAAAIAAgAQU3ltYm9sAHf4 FfJ3//////TjEgDZ5+53AAAAAAwAAAAEAAAALQEBAAgAAAAyCjcCDgIBAAAA KAAcAAAA+wJW/dsAAAAAAJABAAAAAgACABBTeW1ib2wAd/gV8nf/////9OMS ANnn7ncAAAAADAAAAAQAAAAtAQIABAAAAPABAQAIAAAAMgo3AgwEAQAAACkA HAAAAPsCgP4AAAAAAACQAQEAAAAAAgAQVGltZXMgTmV3IFJvbWFuALDjEgDZ 5+53AAAAAAwAAAAEAAAALQEBAAQAAADwAQIACQAAADIK4AFYAAEAAABMANgA CQAAADIK4AGTAgEAAAByAJAAHAAAAPsCIP8AAAAAAACQAQEAAAAAAgAQVGlt ZXMgTmV3IFJvbWFuALDjEgDZ5+53AAAAAAwAAAAEAAAALQECAAQAAADwAQEA CQAAADIKQAI0AQEAAABrAGIACQAAADIKDAFZAQEAAABsAD8AHAAAAPsCIP8A AAAAAACQAQAAAAAAAgAQVGltZXMgTmV3IFJvbWFuALDjEgDZ5+53AAAAAAwA AAAEAAAALQEBAAQAAADwAQIACQAAADIKNAFcAwEAAAAyAHAACgAAACYGDwAK AP////8BAAAAAAAcAAAA+wIQAAcAAAAAALwCAAAAAAECAiJTeXN0ZW0AAKZe +HcQ7hIAJwAAAHAC939wwRQApOrudwQAAAAtAQIABAAAAPABAQADAAAAAADQ zxHgobEa4QAAAAAAAAAAAAAAAAAAAAA+AAMA/v8JAAYAAAAAAAAAAAAAAAEA TAAAAAAAAAAAAAgAPAUAAE4DAAD4AgAA4AEAAAAAAAAAAAAAAAAAAAAAAADo AwAA6AMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAANDPEeChsRrhAAAAAAAA AAAAAAAAAAAAAD4AAwD+/wkABgAAAAAAAAAAAAAAAQAAAAoAAAABAAACAAAA AAAAAAAAAAAAAAAAANDPEeChsRrhAAAAAAAAAAAAAAAAAAAAAD4AAwD+/wkA BgAAAAAAAAAAAAAAAAADANDPEeChsRrhAAAAAAAAAAAAAAAAAAAAAD4AAwD+ /wkABgAAAAAAAAAAAAAAAQAAAAoAAAAAAAAAABAAABwAAAACAJ7AKAAAAPi8 FACEVxQAAAAAAHCzFAACAQECAQoBEoNDAw8BAAsBEoNrAwQAAAESg2wAApZh ApZiAAARAAAA0M8R4KGxGuEAAAAAAAAAAAAAAAAAAAAAPgADAP7/CQAGAAAA AAAAAAAAAAABAAAACgAAAAAAAAAAEAAAAQD+/wMKAAD/////ABcCAAAAAADA AAAAAAAARhcAAABNaWNyb3NvZnQgRWN1YWNp824gMi4wAAwAAABEUyBFcXVh dGlvbgALAAAARXF1YXRpb24uMgD0ObJxAAAAAAAAAAAAAAAA0M8R4KGxGuEA AAAAAAAAAAAAAAAAAAAAPgAIAAgDwQIAAAEACQAAA/cAAAADABwAAAAAAAUA AAAJAgAAAAAEAAAAAgEBAAUAAAABAv///wAEAAAALgEYAAUAAAAxAgEAAAAF AAAACwIAAAAABQAAAAwCgALAAhIAAAAmBg8AGgD/////AAAQAAAAwP///8D/ //+AAgAAQAIAAAsAAAAmBg8ADABNYXRoVHlwZQAAkAAIAAAA+gIAAAkAAAAA AAAABAAAAC0BAAAFAAAAFAIYAdIBBQAAABMCMgLSAQUAAAAUAhgBYAIFAAAA EwIyAmACHAAAAPsCgP4AAAAAAACQAQEAAAAAAgAQVGltZXMgTmV3IFJvbWFu ALDjEgDZ5+53AAAAAAwAAAAEAAAALQEBAAkAAAAyCmABNAABAAAAQwD8ABwA AAD7AiD/AAAAAAAAkAEBAAAAAAIAEFRpbWVzIE5ldyBSb21hbgCw4xIA2efu dwAAAAAMAAAABAAAAC0BAgAEAAAA8AEBAAkAAAAyCtIBQAEBAAAAawBiAAkA AAAyCtIB/wEBAAAAbAA/AAoAAAAmBg8ACgD/////AQAAAAAAHAAAAPsCEAAH AAAAAAC8AgAAAAABAgIiU3lzdGVtAACmXvh3EO4SACcAAABwAvd/cMUUAKTq 7ncEAAAALQEBAAQAAADwAQIAAwAAAAAA0M8R4KGxGuEAAEwAAAAAAAAAAAAI AAgDAADBAgAAuAEAAJABAAAAAAAAAAAAAAAAAAAAAAAA6AMAAOgDAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAADQzxHgobEa4QAAAAAAAAAAAAAAAAAAAAA+ AAMA/v8JAAYAAAAAAAAAAAAAAAEAAAAKAAAAAQAAAgAAAAAAAAAAAAAAAAAA AADQzxHgobEa4QAAAAAAAAAAAAAAAAAAAAA+AAMA/v8JAAYAAAAAAAAAAAAA AAAAAwDQzxHgobEa4QAAAAAAAAAAAAAAAAAAAAA+AAMA/v8JAAYAAAAAAAAA AAAAAAEAAAAKAAAAAAAAAAAQAAAcAAAAAgCewN4AAAAotBQAxLIUAAAAAACg vhQAAgEBAgEKAQKFRgMPAQALARKDaxKDbAARAAoChj0Sg0MDDwEACwESg2sD BAAAARKDbAAClmEClmIAABEACgKCKhKDTAMPAgALARKDawABAwQAAAESg2wA ApZhApZiAAAACgMBAAABEoNyAw8AAAsRAQKIMgAAAAoCligClikAEoNlAw8A AAsRAQKGLQMOAAABEoNyAw8AAAwRAQKIMgAAAAsBAogyAAAAAAoSg2UDDwAA CxEBEoNpEoNsAoRxAAAKEoNyAw8AAAsRAQMEAAABEoNsAAKWYQKWYgAAAAAA 0M8R4KGxAQD+/wMKAAD/////ABcCAAAAAADAAAAAAAAARhcAAABNaWNyb3Nv ZnQgRWN1YWNp824gMi4wAAwAAABEUyBFcXVhdGlvbgALAAAARXF1YXRpb24u MgD0ObJxAAAAAAAAAAAAAAAA0M8R4KGxGuEAAAAAAAAAAAAAAAAAAAAAPgAI AEEUIgQAAAEACQAAAzoDAAAEABwAAAAAAAUAAAAJAgAAAAAEAAAAAgEBAAUA AAABAv///wAEAAAALgEYAAUAAAAxAgEAAAAFAAAACwIAAAAABQAAAAwCwANg EhIAAAAmBg8AGgD/////AAAQAAAAwP///7j///8gEgAAeAMAAAsAAAAmBg8A DABNYXRoVHlwZQAAcAAIAAAA+gIAAAkAAAAAAAAABAAAAC0BAAAFAAAAFAKY AoQFBQAAABMCcgOEBQUAAAAUApgCFgYFAAAAEwJyAxYGBQAAABQCegGVCAUA AAATAlQClQgFAAAAFAJ6AScJBQAAABMCVAInCRwAAAD7AtT92AAAAAAAkAEA AAACAAIAEFN5bWJvbAB3+BXyd//////04xIA2efudwAAAAAMAAAABAAAAC0B AQAIAAAAMgriAnsJAQAAACgAHAAAAPsC1P3YAAAAAACQAQAAAAIAAgAQU3lt Ym9sAHf4FfJ3//////TjEgDZ5+53AAAAAAwAAAAEAAAALQECAAQAAADwAQEA CAAAADIK4gKECwEAAAApAAgAAAD6AgAACAAAAAAAAAAEAAAALQEBAAUAAAAU An8Bag0FAAAAEwJ/AWIOBAAAAC0BAAAFAAAAFAJ6AWMRBQAAABMCVAJjEQUA AAAUAnoB9REFAAAAEwJUAvURHAAAAPsCgP4AAAAAAACQAQAAAAIAAgAQU3lt Ym9sAHf4FfJ3/////7DjEgDZ5+53AAAAAAwAAAAEAAAALQEDAAQAAADwAQIA CQAAADIK4AI3AAEAAABGABQBHAAAAPsCIP8AAAAAAACQAQEAAAAAAgAQVGlt ZXMgTmV3IFJvbWFuALDjEgDZ5+53AAAAAAwAAAAEAAAALQECAAQAAADwAQMA CgAAADIKQAOHAQIAAABrbGIAPwAJAAAAMgpSA/kEAQAAAGtsYgAJAAAAMgpS A7gFAQAAAGxsPwAJAAAAMgpAA54IAQAAAGtsYgAJAAAAMgo0AskIAQAAAGxs PwAJAAAAMgokAXwNAQAAAHJsVAAKAAAAMgo0Al4PAgAAAGlsPwA/AAkAAAAy CjQClxEBAAAAbGw/ABwAAAD7AoD+AAAAAAAAkAEBAAAAAAIAEFRpbWVzIE5l dyBSb21hbgCw4xIA2efudwAAAAAMAAAABAAAAC0BAwAEAAAA8AECAAkAAAAy CuAC8wMBAAAAQwD8AAkAAAAyCuACywcBAAAATADYAAkAAAAyCuACDAoBAAAA cgCQAAkAAAAyCuACDAwBAAAAZQCoAAkAAAAyCuAClg4BAAAAZQCoAAkAAAAy CuACkBABAAAAcgCQABwAAAD7AoD+AAAAAAAAkAEAAAACAAIAEFN5bWJvbAB3 +BXyd/////+w4xIA2efudwAAAAAMAAAABAAAAC0BAgAEAAAA8AEDAAkAAAAy CuACvQIBAAAAPQDYABwAAAD7AiD/AAAAAAAAkAEAAAACAAIAEFN5bWJvbAB3 +BXyd/////+w4xIA2efudwAAAAAMAAAABAAAAC0BAwAEAAAA8AECAAkAAAAy CswB2QwBAAAALQB+ABwAAAD7AoD+AAAAAAAAkAEAAAAAAAIAEFRpbWVzIE5l dyBSb21hbgCw4xIA2efudwAAAAAMAAAABAAAAC0BAgAEAAAA8AEDAAkAAAAy CuACuwYBAAAAKgC0ABwAAAD7AiD/AAAAAAAAkAEAAAAAAAIAEFRpbWVzIE5l dyBSb21hbgCw4xIA2efudwAAAAAMAAAABAAAAC0BAwAEAAAA8AECAAkAAAAy CjQC2woBAAAAMgBwAAkAAAAyCmwCtQ0BAAAAMgBwABwAAAD7AmD/AAAAAAAA kAEAAAAAAAIAEFRpbWVzIE5ldyBSb21hbgCw4xIA2efudwAAAAAMAAAABAAA AC0BAgAEAAAA8AEDAAkAAAAyCsAA8A0BAAAAMgBQABwAAAD7AiD/AAAAAAAA kAEBAAACAAIAEFN5bWJvbAB3+BXyd/////+w4xIA2efudwAAAAAMAAAABAAA AC0BAwAEAAAA8AECAAkAAAAyCjQC3A8BAAAAcQB3AAoAAAAmBg8ACgD///// AQAAAAAAHAAAAPsCEAAHAAAAAAC8AgAAAAABAgIiU3lzdGVtAACmXvh3EO4S ACcAAABwAvd/GMcUAKTq7ncEAAAALQECAAQAAADwAQMAAwAAAAAA0M8R4EwA AAAAAAAAAAAIAEEUAAAiBAAAfAsAAFgCAAAAAAAAAAAAAAAAAAAAAAAA6AMA AOgDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAADQzxHgobEa4QAAAAAAAAAA AAAAAAAAAAA+AAMA/v8JAAYAAAAAAAAAAAAAAAEAAAAKAAAAAQAAAgAAAAAA AAAAAAAAAAAAAADQzxHgobEa4QAAAAAAAAAAAAAAAAAAAAA+AAMA/v8JAAYA AAAAAAAAAAAAAAAAAwDQzxHgobEa4QAAAAAAAAAAAAAAAAAAAAA+AAMA/v8J AAYAAAAAAAAAAAAAAAEAAAAKAAAAAAAAAAAQAAAcAAAAAgCewOYBAADIsRQA nLcUAAAAAABQvhQAAgEBAgEKAQMVAAABEoNkAw8AAAsRAQKIMgAAChKDcgMP AQALAQKIMQARAAoDFQAAARKDZAMPAAALEQECiDIAAAoSg3IDDwEACwECiDIA EQAKAoVGAw8CAAsBEoNrAw8BAAwBAogxABEACxKDbAMPAQAMAQKIMQARAAAL AQKCKgAACgMBAAABMoNyBgsAAw8BAAsBAogxABEAAAoCligClikAAoVGAw8C AAsBEoNrAw8BAAwBAogyABEACxKDbAMPAQAMAQKIMgARAAALAQKCKgAACgMB AAABMoNyBgsAAw8BAAsBAogyABEAAAoCligClikAAw4AAAECiDEAAQMEAAAB MoNyBgsAAw8BAAsBAogxABEACgKGLTKDcgYLAAMPAQALAQKIMgARAAAKApZh ApZiAAAAAAsREQ0ChvIACgKFRgMPAgALARKDawMPAQAMAQKIMwARAAsSg2wD DwEADAECiDMAEQAACwEAAAoDAQAAATKDcgYLAAMPAQALAQKIMgARAAAKApYo ApYpAAKFRgMPAgALARKDawMPAQAMAQKINAARAAsSg2wDDwEADAECiDQAEQAA CwEAAAoDAQAAATKDcgYLAAMPAQALAQKIMQARAAAKApYoApYpAAALERENAoby AAAA0M8R4KGxGuEAAAAAAAAAAAAAAAAAAAAAPgADAP7/CQAGAAAAAAAAAAAA AAABAAAACgAAAAAAAAAAEAAADQABAP7/AwoAAP////8AFwIAAAAAAMAAAAAA AABGFwAAAE1pY3Jvc29mdCBFY3VhY2nzbiAyLjAADAAAAERTIEVxdWF0aW9u AAsAAABFcXVhdGlvbi4yAPQ5snEAAAAAAAAAAAAAAADQzxHgobEa4QAAAAAA AAAAAAAAAAAAAAA+AAgAPiQZBQAAAQAJAAADOgUAAAMAHAAAAAAABQAAAAkC AAAAAAQAAAACAQEABQAAAAEC////AAQAAAAuARgABQAAADECAQAAAAUAAAAL AgAAAAAFAAAADAKgBOAgEgAAACYGDwAaAP////8AABAAAADA////of///6Ag AABBBAAACwAAACYGDwAMAE1hdGhUeXBlAAAgARwAAAD7As/92AAAAAAAkAEA AAACAAIAEFN5bWJvbAB3+BXyd/////8k4xIA2efudwAAAAAMAAAABAAAAC0B AAAIAAAAMgqZAlsKAQAAACgAHAAAAPsCz/3YAAAAAACQAQAAAAIAAgAQU3lt Ym9sAHf4FfJ3/////yTjEgDZ5+53AAAAAAwAAAAEAAAALQEBAAQAAADwAQAA CAAAADIKmQL9CwEAAAApABwAAAD7As/92AAAAAAAkAEAAAACAAIAEFN5bWJv bAB3+BXyd/////8k4xIA2efudwAAAAAMAAAABAAAAC0BAAAEAAAA8AEBAAgA AAAyCpkCeQ8BAAAAKAAcAAAA+wLP/dgAAAAAAJABAAAAAgACABBTeW1ib2wA d/gV8nf/////JOOBAAAAggAAAIMAAACEAAAAhQAAAIYAAACHAAAAiAAAAIkA AACKAAAA/v///4wAAAD+/////v////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// //////////////////////////////////////////////////////////// /////////////////////////////////////xIA2efudwAAAAAMAAAABAAA AC0BAQAEAAAA8AEAAAgAAAAyCpkCOhEBAAAAKQAIAAAA+gIAABAAAAAAAAAA BAAAAC0BAAAFAAAAFAJfAhoSBQAAABMCQwQaEgUAAAAUAl8CJBYFAAAAEwJD BCQWBQAAABQCEgLyEQUAAAATAhICVhYcAAAA+wLP/dgAAAAAAJABAAAAAgAC ABBTeW1ib2wAd/gV8nf/////xOMSANnn7ncAAAAADAAAAAQAAAAtAQIABAAA APABAQAIAAAAMgqZAj4ZAQAAACgAHAAAAPsCz/3YAAAAAACQAQAAAAIAAgAQ U3ltYm9sAHf4FfJ3/////8TjEgDZ5+53AAAAAAwAAAAEAAAALQEBAAQAAADw AQIACAAAADIKmQL/GgEAAAApABwAAAD7As/92AAAAAAAkAEAAAACAAIAEFN5 bWJvbAB3+BXyd//////E4xIA2efudwAAAAAMAAAABAAAAC0BAgAEAAAA8AEB AAgAAAAyCpkCex4BAAAAKAAcAAAA+wLP/dgAAAAAAJABAAAAAgACABBTeW1i b2wAd/gV8nf/////xOMSANnn7ncAAAAADAAAAAQAAAAtAQEABAAAAPABAgAI AAAAMgqZAh0gAQAAACkAHAAAAPsCgP4AAAAAAACQAQEAAAAAAgAQVGltZXMg TmV3IFJvbWFuACDkEgDZ5+53AAAAAAwAAAAEAAAALQECAAQAAADwAQEACQAA ADIKYAI0AQEAAABkAMAACQAAADIKYALMAgEAAAByAJAACQAAADIKYALcBAEA AABkAMAACQAAADIKYAJ0BgEAAAByAJAACQAAADIKYALsCgEAAAByAJAACQAA ADIKYAIKEAEAAAByAJAACQAAADIKnwNKEgEAAAByAJAACQAAADIKnwPhFAEA AAByAJAACQAAADIKYALPGQEAAAByAJAACQAAADIKYAIMHwEAAAByAJAAHAAA APsCIP8AAAAAAACQAQEAAAAAAgAQVGltZXMgTmV3IFJvbWFuACDkEgDZ5+53 AAAAAAwAAAAEAAAALQEBAAQAAADwAQIACQAAADIKwALYCAEAAABrAGIACQAA ADIKwAKRCQEAAABsAD8ACQAAADIKwALMDQEAAABrAGIACQAAADIKwAKaDgEA AABsAD8ACQAAADIK1AKdFwEAAABrAGIACQAAADIK1AJlGAEAAABsAD8ACQAA ADIK1ALOHAEAAABrAGIACQAAADIK1AKcHQEAAABsAD8AHAAAAPsCIP8AAAAA AACQAQAAAAAAAgAQVGltZXMgTmV3IFJvbWFuACDkEgDZ5+53AAAAAAwAAAAE AAAALQECAAQAAADwAQEACQAAADIKtAE2AgEAAAAyAHAACQAAADIKwAJEAwEA AAAxAHAACQAAADIKtAHeBQEAAAAyAHAACQAAADIKwAL7BgEAAAAyAHAACQAA ADIKwAJkCwEAAAAxAHAACQAAADIKwAKREAEAAAAyAHAACQAAADIK/wPCEgEA AAAxAHAACQAAADIK/wNoFQEAAAAyAHAACQAAADIKwAJWGgEAAAAyAHAACQAA ADIKwAKEHwEAAAAxAHAAHAAAAPsCYP8AAAAAAACQAQAAAAAAAgAQVGltZXMg TmV3IFJvbWFuACDkEgDZ5+53AAAAAAwAAAAEAAAALQEBAAQAAADwAQIACQAA ADIK+AI8CQEAAAAxAFAACQAAADIK+ALICQEAAAAxAFAACQAAADIK+AI6DgEA AAAyAFAACQAAADIK+ALbDgEAAAAyAFAACQAAADIKDAMLGAEAAAAzAFAACQAA ADIKDAOmGAEAAAAzAFAACQAAADIKDAM8HQEAAAA0AFAACQAAADIKDAPdHQEA AAA0AFAAHAAAAPsCgP4AAAAAAACQAQAAAAAAAgAQVGltZXMgTmV3IFJvbWFu ACDkEgDZ5+53AAAAAAwAAAAEAAAALQECAAQAAADwAQEACQAAADIKfwHQEwEA AAAxAMAAHAAAAPsCgP4AAAAAAACQAQAAAAIAAgAQU3ltYm9sAHf4FfJ3//// /yDkEgDZ5+53AAAAAAwAAAAEAAAALQEBAAQAAADwAQIACQAAADIKYAKIBwEA AABGABQBCQAAADIKYAJ8DAEAAABGABQBCQAAADIKYAJNFgEAAABGABQBCQAA ADIKYAJ+GwEAAABGABQBHAAAAPsCIP8AAAAAAACQAQAAAAAAAgAQVGltZXMg TmV3IFJvbWFuACDkEgDZ5+53AAAAAAwAAAAEAAAALQECAAQAAADwAQEACQAA ADIKtAHRCAEAAAAqAGkACQAAADIKtAHFDQEAAAAqAGkAHAAAAPsCgP4AAAAA AACQAQAAAAIAAgAQTVQgRXh0cmEAFfJ3/////yDkEgDZ5+53AAAAAAwAAAAE AAAALQEBAAQAAADwAQIACQAAADIKbgEDCwEAAAByAJwACQAAADIKbgEhEAEA AAByAJwACQAAADIKrQJhEgEAAAByAJwACQAAADIKrQL4FAEAAAByAJwACQAA ADIKbgHmGQEAAAByAJwACQAAADIKbgEjHwEAAAByAJwAHAAAAPsCgP4AAAAA AACQAQAAAAIAAgAQU3ltYm9sAHf4FfJ3/////yDkEgDZ5+53AAAAAAwAAAAE AAAALQECAAQAAADwAQEACQAAADIKnwOsEwEAAAAtANgAHAAAAPsCwP0AAAAA AACQAQAA --127467777-66480178-881262957=:12478-- From lavelle@mbi.ucla.edu Thu Dec 4 22:39:35 1997 Received: from rho.ben2.ucla.edu for lavelle@mbi.ucla.edu by www.ccl.net (8.8.3/950822.1) id WAA07425; Thu, 4 Dec 1997 22:30:19 -0500 (EST) Received: from ewald.mbi.ucla.edu (ewald.mbi.ucla.edu [128.97.39.21]) by rho.ben2.ucla.edu (8.8.5/8.8.5) with SMTP id TAA96794; Thu, 4 Dec 1997 19:30:21 -0800 Received: from red5.mbi.ucla.edu by ewald.mbi.ucla.edu (5.65v3.2/1.1.10.5/09Oct97-1217PM) id AA07964; Thu, 4 Dec 1997 19:30:20 -0800 Message-Id: <3.0.32.19971204193821.00a4d570@mbi.ucla.edu> X-Sender: lavelle@mbi.ucla.edu X-Mailer: Windows Eudora Pro Version 3.0 (32) Date: Thu, 04 Dec 1997 19:38:22 -0800 To: hyperchem@hyper.com, chemistry@www.ccl.net From: Laurence Lavelle Subject: Gaussian 94 Windows Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Hi, I have a couple of questions regarding G94W: Under NT does it use SMP (i.e., is it a multithread application)? Does it interface with UNIX G94 (i.e., can one use G94W as a front end and UNIX G94 as a backend for heavy duty computations)? Since it is over a week since I asked Gaussian Inc. the same questions with no reply, perhaps someone knows. Thanks Laurence Lavelle