REMARK Name = BDB030790 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.848 -3.242 3.027 0.00 0.00 +0.152 C ATOM 2 N LIG 1 -2.534 -2.280 2.177 0.00 0.00 -0.310 N ATOM 3 C LIG 1 -1.806 -1.541 1.200 0.00 0.00 +0.054 A ATOM 4 C LIG 1 -2.470 -0.582 0.415 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -1.694 0.225 -0.449 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -0.303 0.076 -0.585 0.00 0.00 +0.033 A ATOM 7 C LIG 1 0.307 -0.942 0.138 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -3.951 -0.428 0.522 0.00 0.00 +0.056 A ATOM 9 N LIG 1 -4.604 0.353 -0.441 0.00 0.00 -0.336 N ATOM 10 H LIG 1 -4.046 0.547 -1.262 0.00 0.00 +0.147 HD ATOM 11 C LIG 1 -5.548 1.433 -0.112 0.00 0.00 +0.111 C ATOM 12 C LIG 1 -6.813 0.866 0.565 0.00 0.00 +0.254 C ATOM 13 O LIG 1 -6.462 0.227 1.795 0.00 0.00 -0.459 OA ATOM 14 C LIG 1 -6.048 -1.047 1.567 0.00 0.00 +0.346 C ATOM 15 O LIG 1 -6.805 -1.997 1.440 0.00 0.00 -0.245 OA ATOM 16 C LIG 1 -4.579 -1.114 1.501 0.00 0.00 +0.145 A ATOM 17 C LIG 1 -0.426 -1.727 1.032 0.00 0.00 +0.028 A ATOM 18 C LIG 1 -3.878 -2.031 2.427 0.00 0.00 +0.267 A ATOM 19 O LIG 1 -4.485 -2.534 3.372 0.00 0.00 -0.267 OA ENDROOT BRANCH 11 20 ATOM 20 C LIG 1 -5.939 2.245 -1.329 0.00 0.00 +0.012 C ATOM 21 C LIG 1 -6.028 1.653 -2.716 0.00 0.00 +0.006 C ATOM 22 C LIG 1 -4.961 2.669 -2.401 0.00 0.00 +0.006 C ENDBRANCH 11 20 BRANCH 6 23 ATOM 23 N LIG 1 0.383 0.886 -1.511 0.00 0.00 -0.298 N ATOM 24 H LIG 1 -0.174 1.664 -1.851 0.00 0.00 +0.154 HD BRANCH 23 25 ATOM 25 C LIG 1 1.763 1.221 -1.591 0.00 0.00 +0.147 A ATOM 26 C LIG 1 2.215 1.932 -2.695 0.00 0.00 +0.099 A ATOM 27 CL LIG 1 1.178 2.479 -3.954 0.00 0.00 -0.078 Cl ATOM 28 C LIG 1 3.559 2.204 -2.731 0.00 0.00 +0.137 A ATOM 29 N LIG 1 4.421 1.823 -1.772 0.00 0.00 -0.221 NA ATOM 30 C LIG 1 3.923 1.135 -0.733 0.00 0.00 +0.220 A ATOM 31 N LIG 1 2.619 0.824 -0.627 0.00 0.00 -0.198 NA BRANCH 30 32 ATOM 32 N LIG 1 4.771 0.763 0.273 0.00 0.00 -0.294 N ATOM 33 C LIG 1 6.212 0.693 0.073 0.00 0.00 +0.077 C ATOM 34 C LIG 1 6.699 0.550 1.529 0.00 0.00 +0.024 C ATOM 35 C LIG 1 5.523 -0.105 2.278 0.00 0.00 +0.024 C ATOM 36 C LIG 1 6.537 -0.570 -0.751 0.00 0.00 +0.022 C ATOM 37 C LIG 1 5.986 -1.852 -0.106 0.00 0.00 +0.004 C ATOM 38 C LIG 1 4.584 -1.658 0.493 0.00 0.00 +0.022 C ATOM 39 C LIG 1 4.430 -0.299 1.209 0.00 0.00 +0.077 C ENDBRANCH 30 32 ENDBRANCH 23 25 ENDBRANCH 6 23 TORSDOF 4