REMARK Name = BDB031732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.716 -0.976 2.419 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.990 -1.840 1.577 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.648 -1.546 1.309 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.985 -0.454 1.849 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.346 -0.527 1.327 0.00 0.00 +0.153 A ATOM 6 N LIG 1 -0.486 -1.585 0.520 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 1.696 0.401 2.712 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.718 -2.176 0.533 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.846 -3.017 -0.018 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.045 0.122 2.984 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.275 -0.027 -1.887 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.226 -0.058 -0.485 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.037 -0.945 0.207 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.244 -1.235 1.667 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.168 -1.256 2.733 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.324 -2.292 1.681 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.644 -2.564 0.362 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.349 -3.235 0.100 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.805 -2.799 2.680 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.200 -0.146 2.700 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.900 -1.777 -0.520 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.976 -1.774 -1.896 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.146 -0.884 -2.584 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.433 0.976 -3.876 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.425 0.883 -2.457 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.283 0.393 1.644 0.00 0.00 -0.282 N ATOM 27 H LIG 1 -1.027 1.187 2.218 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.622 0.548 1.283 0.00 0.00 +0.129 A ATOM 29 N LIG 1 -3.198 1.670 1.742 0.00 0.00 -0.217 NA ATOM 30 C LIG 1 -4.487 1.885 1.434 0.00 0.00 +0.136 A ATOM 31 N LIG 1 -5.220 1.040 0.687 0.00 0.00 -0.217 NA ATOM 32 C LIG 1 -4.644 -0.076 0.216 0.00 0.00 +0.127 A ATOM 33 C LIG 1 -3.327 -0.358 0.521 0.00 0.00 +0.087 A BRANCH 32 34 ATOM 34 N LIG 1 -5.413 -0.945 -0.568 0.00 0.00 -0.312 N ATOM 35 C LIG 1 -6.850 -0.633 -0.676 0.00 0.00 +0.129 C ATOM 36 C LIG 1 -7.126 0.466 -1.683 0.00 0.00 +0.185 C ATOM 37 S LIG 1 -6.473 0.006 -3.267 0.00 0.00 -0.028 S ATOM 38 O LIG 1 -7.192 -1.165 -3.735 0.00 0.00 -0.174 OA ATOM 39 O LIG 1 -6.418 1.200 -4.092 0.00 0.00 -0.174 OA ATOM 40 C LIG 1 -4.804 -0.478 -2.905 0.00 0.00 +0.185 C ATOM 41 C LIG 1 -4.808 -1.501 -1.788 0.00 0.00 +0.129 C ENDBRANCH 32 34 BRANCH 30 42 ATOM 42 C LIG 1 -5.150 3.138 1.952 0.00 0.00 +0.057 C ATOM 43 C LIG 1 -4.555 4.495 1.649 0.00 0.00 +0.012 C ATOM 44 C LIG 1 -5.840 4.085 0.995 0.00 0.00 +0.012 C ENDBRANCH 30 42 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6