!BIOSYM archive 3 PBC=ON !DATE Nov 09 13:24:06 2002 PBC 20.0000 8.6520 4.9952 90.0000 90.0000 90.0000 S1 9.755988424 .590331275 3.545469159 BENZ 1 ? S .000 S2 9.753181749 4.918057870 1.047137004 BENZ 1 ? S .000 C3 8.699892174 6.443614339 1.126209112 METH 1B ? C .000 H4 9.340790051 7.331751766 1.122985686 METH 1B ? H .000 H5 8.165707919 6.423593338 2.116792451 METH 1B ? H .000 C6 8.702049082 2.115224557 3.632012034 METH 1C ? C .000 H7 9.342062145 3.004052639 3.629355412 METH 1C ? H .000 H8 8.170457473 2.091777047 4.623953852 METH 1C ? H .000 C9 7.746216300 2.086287684 2.457146704 METH 1D ? C .000 C10 6.706584787 3.214986661 2.464819252 METH 1D ? C .000 C11 5.724710072 3.129973360 1.313366999 METH 1D ? C .000 C12 4.635168938 4.209809667 1.311644711 METH 1D ? C .000 C13 3.677215949 4.102591449 .143413822 METH 1D ? C .000 H14 2.923455931 4.900212737 .155507180 METH 1D h H .000 H15 4.212412160 4.180200879 -.845960522 METH 1D ? H .000 H16 3.152829267 3.137120245 .135492827 METH 1D ? H .000 H17 4.059418634 4.139537920 2.282767095 METH 1D ? H .000 H18 5.104901525 5.202672389 1.327313276 METH 1D ? H .000 H19 6.288354457 3.197845429 .336947164 METH 1D ? H .000 H20 5.248800978 2.138450502 1.301051299 METH 1D ? H .000 H21 6.148430324 3.174672277 3.445861942 METH 1D ? H .000 H22 7.224475237 4.183379841 2.458037214 METH 1D ? H .000 H23 8.355089589 2.142801046 1.510249350 METH 1D ? H .000 H24 7.233049386 1.115649164 2.424719096 METH 1D ? H .000 C25 7.745846050 6.414529204 -.050405662 METH 1E ? C .000 C26 6.706327553 7.543611676 -.042927231 METH 1E ? C .000 C27 5.723932527 7.458355124 -1.193980268 METH 1E ? C .000 C28 4.632014964 8.535767280 -1.194740605 METH 1E ? C .000 C29 3.673961535 8.426459159 -2.362613930 METH 1E ? C .000 H30 2.918407395 9.222339466 -2.350004026 METH 1E h H .000 H31 4.208592822 8.505200143 -3.352224604 METH 1E ? H .000 H32 3.151660734 7.459883458 -2.370204168 METH 1E ? H .000 H33 4.056665554 8.463580352 -.223557966 METH 1E ? H .000 H34 5.099170246 9.529828360 -1.178641286 METH 1E ? H .000 H35 6.287140754 7.527885720 -2.170523417 METH 1E ? H .000 H36 5.249902571 6.465938347 -1.206722251 METH 1E ? H .000 H37 6.148447896 7.503733973 .938321767 METH 1E ? H .000 H38 7.224995712 8.511580269 -.050103714 METH 1E ? H .000 H39 8.355447919 6.471390330 -.996808212 METH 1E ? H .000 H40 7.232199594 5.444168970 -.083732929 METH 1E ? H .000 AU41 12.000000000 .000000000 .000000000 BENZ 1 ? Au 1.001 AU42 12.000000000 1.442000031 2.497600079 BENZ 1 ? Au 1.001 AU43 14.354700089 1.442000031 4.162665844 BENZ 1 ? Au 1.001 AU44 14.354700089 .000000000 1.665066004 BENZ 1 ? Au 1.001 AU45 16.709499359 .000000000 3.330132961 BENZ 1 ? Au 1.001 AU46 16.709499359 1.442000031 .832533002 BENZ 1 ? Au 1.001 AU47 12.000000000 2.884000063 .000000000 BENZ 1 ? Au 1.001 AU48 12.000000000 4.326000214 2.497600079 BENZ 1 ? Au 1.001 AU49 14.354700089 4.326000214 4.162665844 BENZ 1 ? Au 1.001 AU50 14.354700089 2.884000063 1.665066004 BENZ 1 ? Au 1.001 AU51 16.709499359 2.884000063 3.330132961 BENZ 1 ? Au 1.001 AU52 16.709499359 4.326000214 .832533002 BENZ 1 ? Au 1.001 AU53 12.000000000 5.768000126 .000000000 BENZ 1 ? Au 1.001 AU54 12.000000000 7.210000038 2.497600079 BENZ 1 ? Au 1.001 AU55 14.354700089 7.210000038 4.162665844 BENZ 1 ? Au 1.001 AU56 14.354700089 5.768000126 1.665066004 BENZ 1 ? Au 1.001 AU57 16.709499359 5.768000126 3.330132961 BENZ 1 ? Au 1.001 AU58 16.709499359 7.210000038 .832533002 BENZ 1 ? Au 1.001 end end