REMARK Name = BDB005967 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.147 1.194 -1.405 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -4.946 -0.162 -1.121 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -3.702 -0.615 -0.671 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -2.654 0.283 -0.432 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -1.322 -0.211 0.090 0.00 0.00 +0.137 C ATOM 6 N LIG 1 -0.201 0.701 -0.192 0.00 0.00 -0.287 N ATOM 7 C LIG 1 -0.375 2.074 -0.295 0.00 0.00 +0.221 C ATOM 8 C LIG 1 -1.787 2.627 -0.317 0.00 0.00 +0.131 C ATOM 9 O LIG 1 0.571 2.862 -0.359 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -2.867 1.643 -0.653 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -4.110 2.093 -1.134 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -1.383 -0.615 1.562 0.00 0.00 -0.023 A ATOM 13 C LIG 1 -1.532 0.334 2.588 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -1.594 -0.063 3.927 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.510 -1.413 4.253 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -1.586 -1.900 5.902 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -1.362 -2.370 3.253 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -1.300 -1.974 1.915 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 1.158 0.116 -0.202 0.00 0.00 +0.077 C ATOM 20 C LIG 1 1.982 0.492 1.042 0.00 0.00 +0.023 C ATOM 21 C LIG 1 3.428 0.038 0.887 0.00 0.00 +0.013 C ATOM 22 C LIG 1 4.125 0.715 -0.300 0.00 0.00 +0.056 C ATOM 23 C LIG 1 3.163 1.224 -1.383 0.00 0.00 +0.013 C ATOM 24 C LIG 1 1.903 0.370 -1.530 0.00 0.00 +0.023 C BRANCH 22 25 ATOM 25 C LIG 1 5.146 -0.242 -0.916 0.00 0.00 +0.140 C ATOM 26 O LIG 1 4.785 -1.243 -1.540 0.00 0.00 -0.297 OA BRANCH 25 27 ATOM 27 C LIG 1 6.621 0.069 -0.675 0.00 0.00 +0.060 C ATOM 28 C LIG 1 7.009 -0.383 0.736 0.00 0.00 +0.039 C ATOM 29 C LIG 1 8.476 -0.770 0.793 0.00 0.00 +0.160 C ATOM 30 O LIG 1 8.806 -1.843 -0.085 0.00 0.00 -0.380 OA ATOM 31 C LIG 1 8.025 -1.929 -1.277 0.00 0.00 +0.160 C ATOM 32 C LIG 1 7.516 -0.574 -1.744 0.00 0.00 +0.039 C ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 6 19 BRANCH 1 34 ATOM 33 C LIG 1 -6.478 2.858 -2.478 0.00 0.00 +0.277 C ATOM 34 O LIG 1 -6.357 1.548 -1.940 0.00 0.00 -0.491 OA ENDBRANCH 1 34 BRANCH 2 35 ATOM 35 O LIG 1 -5.888 -1.141 -1.315 0.00 0.00 -0.486 OA BRANCH 35 36 ATOM 36 C LIG 1 -7.066 -1.004 -0.500 0.00 0.00 +0.167 C ATOM 37 C LIG 1 -6.753 -1.150 0.991 0.00 0.00 +0.051 C ATOM 38 C LIG 1 -8.018 -2.119 -0.938 0.00 0.00 +0.051 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 7