REMARK Name = LIG000005 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.112 -3.523 -0.199 0.00 0.00 +0.052 C ATOM 2 C LIG 1 -3.190 -2.378 0.076 0.00 0.00 -0.008 A ATOM 3 C LIG 1 -3.230 -1.093 -0.449 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -4.246 -0.644 -1.458 0.00 0.00 +0.045 C ATOM 5 C LIG 1 -2.173 -0.256 0.105 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -2.016 1.196 -0.096 0.00 0.00 +0.076 C ATOM 7 N LIG 1 -0.887 1.767 -0.345 0.00 0.00 -0.271 NA ATOM 8 C LIG 1 0.344 0.987 -0.475 0.00 0.00 +0.183 C ATOM 9 C LIG 1 0.689 0.370 0.846 0.00 0.00 +0.163 A ATOM 10 N LIG 1 -0.096 -0.617 1.418 0.00 0.00 -0.275 N ATOM 11 C LIG 1 0.663 -1.054 2.499 0.00 0.00 +0.135 A ATOM 12 C LIG 1 0.276 -2.089 3.486 0.00 0.00 +0.088 C ATOM 13 N LIG 1 1.773 -0.344 2.575 0.00 0.00 -0.134 NA ATOM 14 N LIG 1 1.777 0.561 1.561 0.00 0.00 -0.132 NA ATOM 15 C LIG 1 -1.328 -1.022 0.893 0.00 0.00 +0.097 A ATOM 16 S LIG 1 -1.877 -2.596 1.141 0.00 0.00 -0.075 S ENDROOT BRANCH 6 17 ATOM 17 C LIG 1 -3.222 2.068 0.043 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -3.327 3.215 -0.756 0.00 0.00 +0.011 A ATOM 19 C LIG 1 -4.436 4.055 -0.638 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -5.435 3.757 0.287 0.00 0.00 +0.041 A ATOM 21 CL LIG 1 -6.803 4.790 0.432 0.00 0.00 -0.084 Cl ATOM 22 C LIG 1 -5.331 2.629 1.101 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -4.222 1.786 0.985 0.00 0.00 +0.011 A ENDBRANCH 6 17 BRANCH 8 24 ATOM 24 C LIG 1 1.442 1.937 -0.968 0.00 0.00 +0.130 C BRANCH 24 25 ATOM 25 C LIG 1 2.618 1.166 -1.540 0.00 0.00 +0.220 C ATOM 26 N LIG 1 3.493 0.700 -0.580 0.00 0.00 -0.284 N ATOM 27 H LIG 1 3.205 0.825 0.394 0.00 0.00 +0.155 HD ATOM 28 O LIG 1 2.708 0.983 -2.750 0.00 0.00 -0.275 OA BRANCH 26 29 ATOM 29 C LIG 1 4.667 -0.053 -0.777 0.00 0.00 +0.052 A ATOM 30 C LIG 1 5.329 -0.557 0.346 0.00 0.00 +0.134 A ATOM 31 N LIG 1 6.467 -1.293 0.308 0.00 0.00 -0.251 NA ATOM 32 CA LIG 1 6.972 -1.539 -0.924 0.00 0.00 +0.103 A ATOM 33 C LIG 1 6.397 -1.086 -2.103 0.00 0.00 +0.033 A ATOM 34 C LIG 1 5.226 -0.330 -2.022 0.00 0.00 +0.027 A BRANCH 32 35 ATOM 35 C LIG 1 8.212 -2.343 -0.951 0.00 0.00 +0.278 C ATOM 36 O LIG 1 8.782 -2.651 -1.992 0.00 0.00 -0.294 OA ENDBRANCH 32 35 ENDBRANCH 26 29 ENDBRANCH 24 25 ENDBRANCH 8 24 TORSDOF 5