REMARK Name = BDB018678 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.925 0.002 0.771 0.00 0.00 -0.016 A ATOM 2 C LIG 1 1.198 -0.776 -0.146 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -0.189 -0.889 -0.040 0.00 0.00 +0.037 A ATOM 4 N LIG 1 -0.891 -1.683 -0.952 0.00 0.00 -0.285 N ATOM 5 H LIG 1 -0.385 -2.300 -1.576 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 -2.258 -1.777 -0.998 0.00 0.00 +0.225 C ATOM 7 C LIG 1 -3.030 -0.716 -0.226 0.00 0.00 +0.069 C ATOM 8 C LIG 1 -4.503 -1.103 -0.065 0.00 0.00 +0.132 C ATOM 9 N LIG 1 -5.224 0.197 0.072 0.00 0.00 -0.268 N ATOM 10 C LIG 1 -4.379 1.272 -0.510 0.00 0.00 +0.117 C ATOM 11 C LIG 1 -2.364 -0.470 1.137 0.00 0.00 +0.054 C ATOM 12 C LIG 1 -3.150 0.564 -1.067 0.00 0.00 +0.037 C ATOM 13 O LIG 1 -2.795 -2.623 -1.709 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 -0.881 -0.247 0.990 0.00 0.00 -0.025 A ATOM 15 C LIG 1 -0.170 0.518 1.917 0.00 0.00 +0.006 A ATOM 16 C LIG 1 1.218 0.645 1.802 0.00 0.00 +0.009 A ENDROOT BRANCH 1 22 ATOM 17 C LIG 1 6.022 1.190 -1.852 0.00 0.00 +0.065 C ATOM 18 C LIG 1 5.370 0.699 -0.594 0.00 0.00 +0.039 A ATOM 19 N LIG 1 6.180 0.384 0.442 0.00 0.00 -0.260 NA ATOM 20 C LIG 1 5.593 -0.052 1.575 0.00 0.00 +0.111 A ATOM 21 C LIG 1 4.224 -0.190 1.731 0.00 0.00 +0.028 A ATOM 22 C LIG 1 3.385 0.133 0.660 0.00 0.00 -0.015 A ATOM 23 C LIG 1 3.984 0.587 -0.523 0.00 0.00 +0.031 A ENDBRANCH 1 22 BRANCH 9 24 ATOM 24 C LIG 1 -6.542 0.306 0.278 0.00 0.00 +0.169 C ATOM 25 N LIG 1 -7.681 0.404 0.457 0.00 0.00 -0.174 NA ENDBRANCH 9 24 TORSDOF 2