REMARK Name = LIG001868 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.055 -2.248 -1.470 0.00 0.00 -0.312 N ATOM 2 C LIG 1 -2.574 -1.006 -1.150 0.00 0.00 +0.167 A ATOM 3 C LIG 1 -1.239 -1.211 -0.853 0.00 0.00 +0.148 A ATOM 4 C LIG 1 -0.493 -0.081 -0.484 0.00 0.00 +0.152 A ATOM 5 N LIG 1 -1.132 1.117 -0.475 0.00 0.00 -0.197 NA ATOM 6 C LIG 1 -2.437 1.194 -0.800 0.00 0.00 +0.219 A ATOM 7 N LIG 1 -0.895 -2.539 -0.995 0.00 0.00 -0.231 NA ATOM 8 N LIG 1 -3.233 0.163 -1.129 0.00 0.00 -0.195 NA ATOM 9 C LIG 1 -2.010 -3.132 -1.364 0.00 0.00 +0.201 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -5.042 -1.723 -2.889 0.00 0.00 +0.030 C ATOM 11 C LIG 1 -4.419 -2.620 -1.819 0.00 0.00 +0.084 C ATOM 12 C LIG 1 -5.296 -2.710 -0.572 0.00 0.00 +0.030 C ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N LIG 1 -2.937 2.483 -0.788 0.00 0.00 -0.309 N ATOM 14 H LIG 1 -2.282 3.048 -0.257 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 C LIG 1 -4.338 2.687 -0.481 0.00 0.00 +0.142 C BRANCH 15 16 ATOM 16 C LIG 1 -4.713 2.332 0.941 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -4.032 2.878 2.045 0.00 0.00 +0.065 A ATOM 18 CL LIG 1 -2.765 4.042 1.889 0.00 0.00 -0.082 Cl ATOM 19 C LIG 1 -4.408 2.504 3.334 0.00 0.00 +0.131 A ATOM 20 N LIG 1 -5.418 1.652 3.612 0.00 0.00 -0.260 NA ATOM 21 C LIG 1 -6.090 1.165 2.546 0.00 0.00 +0.131 A ATOM 22 C LIG 1 -5.792 1.475 1.221 0.00 0.00 +0.065 A ATOM 23 CL LIG 1 -6.822 0.817 0.002 0.00 0.00 -0.082 Cl ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 4 24 ATOM 24 N LIG 1 0.858 -0.178 -0.133 0.00 0.00 -0.323 N ATOM 25 H LIG 1 1.234 -1.069 -0.454 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 1.656 0.979 -0.493 0.00 0.00 +0.138 C BRANCH 26 27 ATOM 27 C LIG 1 3.110 0.688 -0.201 0.00 0.00 -0.030 A ATOM 28 C LIG 1 3.561 0.591 1.121 0.00 0.00 +0.006 A ATOM 29 C LIG 1 4.905 0.315 1.399 0.00 0.00 +0.010 A ATOM 30 C LIG 1 5.841 0.118 0.368 0.00 0.00 +0.000 A ATOM 31 C LIG 1 5.371 0.222 -0.954 0.00 0.00 +0.010 A ATOM 32 C LIG 1 4.028 0.497 -1.238 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 7.264 -0.182 0.640 0.00 0.00 +0.071 A ATOM 34 N LIG 1 8.151 0.276 -0.281 0.00 0.00 -0.255 NA ATOM 35 C LIG 1 9.464 0.032 -0.076 0.00 0.00 +0.111 A ATOM 36 C LIG 1 9.957 -0.664 1.012 0.00 0.00 +0.020 A ATOM 37 C LIG 1 9.048 -1.140 1.946 0.00 0.00 +0.004 A ATOM 38 C LIG 1 7.688 -0.899 1.760 0.00 0.00 +0.028 A ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 4 24 TORSDOF 8