REMARK Name = BDB020410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.922 -1.952 -1.839 0.00 0.00 +0.233 C ATOM 2 N LIG 1 -0.118 -1.843 -0.924 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -1.113 -0.745 -0.930 0.00 0.00 +0.179 C ATOM 4 C LIG 1 -2.455 -1.231 -1.530 0.00 0.00 +0.141 C ATOM 5 N LIG 1 -2.909 -2.519 -0.970 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -1.887 -3.580 -0.953 0.00 0.00 +0.128 C ATOM 7 C LIG 1 -0.602 -3.073 -0.288 0.00 0.00 +0.127 C ATOM 8 O LIG 1 1.303 -3.061 -2.229 0.00 0.00 -0.274 OA ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -4.246 -2.822 -1.031 0.00 0.00 +0.282 C ATOM 10 O LIG 1 -4.552 -4.115 -0.768 0.00 0.00 -0.455 OA ATOM 11 C LIG 1 -5.946 -4.265 -1.048 0.00 0.00 +0.231 C ATOM 12 C LIG 1 -6.431 -2.820 -1.167 0.00 0.00 +0.152 C ATOM 13 C LIG 1 -7.322 -2.586 -2.380 0.00 0.00 +0.037 C ATOM 14 N LIG 1 -5.209 -2.008 -1.319 0.00 0.00 -0.230 NA BRANCH 11 15 ATOM 15 C LIG 1 -6.625 -5.113 0.015 0.00 0.00 -0.005 A ATOM 16 C LIG 1 -8.022 -5.116 0.160 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -8.645 -5.931 1.111 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -7.885 -6.767 1.923 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -6.501 -6.798 1.779 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -5.878 -5.981 0.831 0.00 0.00 +0.007 A ENDBRANCH 11 15 ENDBRANCH 5 9 BRANCH 3 21 ATOM 21 C LIG 1 -1.299 -0.084 0.457 0.00 0.00 +0.235 C ATOM 22 N LIG 1 -2.129 1.022 0.461 0.00 0.00 -0.310 N ATOM 23 H LIG 1 -2.426 1.433 -0.412 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 -0.717 -0.469 1.470 0.00 0.00 -0.274 OA BRANCH 22 25 ATOM 25 C LIG 1 -2.276 1.852 1.637 0.00 0.00 +0.139 C BRANCH 25 26 ATOM 26 C LIG 1 -1.387 3.063 1.536 0.00 0.00 -0.030 A ATOM 27 C LIG 1 -1.861 4.263 0.991 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -1.017 5.372 0.873 0.00 0.00 +0.005 A ATOM 29 C LIG 1 0.316 5.301 1.297 0.00 0.00 -0.034 A ATOM 30 C LIG 1 0.797 4.092 1.814 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -0.046 2.985 1.934 0.00 0.00 +0.005 A BRANCH 29 32 ATOM 32 C LIG 1 1.229 6.493 1.170 0.00 0.00 +0.113 C BRANCH 32 33 ATOM 33 N LIG 1 2.016 6.432 -0.056 0.00 0.00 -0.326 NA ATOM 34 H LIG 1 2.513 7.311 -0.176 0.00 0.00 +0.119 HD ATOM 35 H LIG 1 1.384 6.343 -0.850 0.00 0.00 +0.119 HD ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 3 21 BRANCH 1 36 ATOM 36 C LIG 1 1.586 -0.649 -2.384 0.00 0.00 +0.141 C BRANCH 36 37 ATOM 37 N LIG 1 2.476 -0.962 -3.534 0.00 0.00 -0.303 NA ATOM 38 H LIG 1 2.130 -1.832 -3.952 0.00 0.00 +0.123 HD BRANCH 37 40 ATOM 39 C LIG 1 4.294 -2.469 -2.724 0.00 0.00 +0.023 C ATOM 40 C LIG 1 3.914 -1.108 -3.308 0.00 0.00 +0.048 C ATOM 41 C LIG 1 4.597 -0.943 -4.671 0.00 0.00 +0.023 C ENDBRANCH 37 40 ENDBRANCH 36 37 BRANCH 36 42 ATOM 42 C LIG 1 2.118 0.299 -1.285 0.00 0.00 +0.028 C BRANCH 42 43 ATOM 43 C LIG 1 2.974 -0.335 -0.181 0.00 0.00 +0.003 C BRANCH 43 44 ATOM 44 C LIG 1 3.262 0.610 0.996 0.00 0.00 +0.015 C BRANCH 44 45 ATOM 45 C LIG 1 4.053 1.861 0.587 0.00 0.00 +0.084 C BRANCH 45 46 ATOM 46 N LIG 1 4.438 2.696 1.737 0.00 0.00 -0.302 NA ATOM 47 C LIG 1 5.404 2.026 2.624 0.00 0.00 +0.084 C ATOM 48 C LIG 1 6.497 2.941 3.191 0.00 0.00 +0.015 C ATOM 49 C LIG 1 5.937 4.291 3.612 0.00 0.00 +0.002 C ATOM 50 C LIG 1 5.113 4.937 2.498 0.00 0.00 +0.015 C ATOM 51 C LIG 1 4.896 4.016 1.296 0.00 0.00 +0.084 C ENDBRANCH 45 46 ENDBRANCH 44 45 ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 36 42 ENDBRANCH 1 36 TORSDOF 15