REMARK Name = BDB024889 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.406 -0.570 0.287 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.168 -1.154 0.609 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.099 -2.585 0.994 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.730 -2.823 2.378 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.683 -3.182 1.030 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.846 -2.646 -0.108 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.772 -1.156 0.053 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.576 -0.443 -0.176 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.657 -0.926 -0.525 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.461 0.118 -0.619 0.00 0.00 +0.144 A ATOM 11 N LIG 1 -0.761 1.286 -0.347 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.543 0.939 -0.050 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.677 1.670 0.311 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.864 0.957 0.528 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.937 -0.437 0.400 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.590 0.582 -0.093 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.317 2.637 -0.335 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.350 3.250 1.072 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.151 4.565 1.090 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.043 5.363 -0.220 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.757 5.051 -0.980 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.669 3.574 -1.372 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -1.714 5.441 2.253 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -0.565 5.540 2.654 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.728 6.153 2.795 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.598 6.007 2.379 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.721 -0.922 0.053 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.442 -1.458 0.394 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.931 0.080 -0.955 0.00 0.00 +0.210 C BRANCH 29 30 ATOM 30 C LIG 1 -3.499 -1.276 -1.335 0.00 0.00 -0.007 A ATOM 31 C LIG 1 -3.331 -2.414 -0.524 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -3.890 -3.651 -0.869 0.00 0.00 +0.122 A ATOM 33 C LIG 1 -4.637 -3.762 -2.039 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -4.816 -2.642 -2.850 0.00 0.00 +0.045 A ATOM 35 CL LIG 1 -5.746 -2.777 -4.294 0.00 0.00 -0.083 Cl ATOM 36 C LIG 1 -4.260 -1.409 -2.506 0.00 0.00 +0.026 A BRANCH 32 37 ATOM 37 O LIG 1 -3.638 -4.657 0.023 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -4.111 -5.955 -0.318 0.00 0.00 +0.277 C ENDBRANCH 32 37 ENDBRANCH 29 30 BRANCH 29 39 ATOM 39 O LIG 1 -3.634 0.574 0.190 0.00 0.00 -0.379 OA ATOM 40 H LIG 1 -3.665 -0.165 0.823 0.00 0.00 +0.211 HD ENDBRANCH 29 39 ENDBRANCH 10 29 TORSDOF 8