REMARK Name = BDB005762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.028 0.472 -0.633 0.00 0.00 -0.310 N ATOM 2 C LIG 1 0.323 1.767 -0.291 0.00 0.00 +0.096 A ATOM 3 C LIG 1 -0.892 2.342 0.086 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -0.945 3.645 0.577 0.00 0.00 +0.061 A ATOM 5 C LIG 1 0.268 4.297 0.649 0.00 0.00 +0.112 A ATOM 6 N LIG 1 1.461 3.769 0.269 0.00 0.00 -0.241 NA ATOM 7 N LIG 1 -1.933 1.477 -0.100 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 1.512 2.503 -0.224 0.00 0.00 +0.099 A ATOM 9 C LIG 1 -1.410 0.384 -0.597 0.00 0.00 +0.200 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 -2.074 -0.750 -0.968 0.00 0.00 -0.297 N ATOM 11 C LIG 1 -3.293 -1.048 -0.180 0.00 0.00 +0.084 C ATOM 12 C LIG 1 -4.556 -0.363 -0.745 0.00 0.00 +0.035 C ATOM 13 C LIG 1 -5.779 -1.274 -0.582 0.00 0.00 +0.165 C ATOM 14 O LIG 1 -5.738 -1.917 0.687 0.00 0.00 -0.379 OA ATOM 15 C LIG 1 -4.699 -2.891 0.789 0.00 0.00 +0.161 C ATOM 16 C LIG 1 -4.410 0.106 -2.198 0.00 0.00 +0.009 C ATOM 17 C LIG 1 -3.557 -0.864 -2.998 0.00 0.00 +0.019 C ATOM 18 C LIG 1 -3.467 -2.564 -0.047 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -2.148 -1.003 -2.421 0.00 0.00 +0.108 C ENDBRANCH 9 10 BRANCH 5 20 ATOM 20 C LIG 1 0.332 5.676 1.159 0.00 0.00 +0.201 A ATOM 21 N LIG 1 1.516 6.300 1.207 0.00 0.00 -0.270 N ATOM 22 H LIG 1 2.406 5.928 0.922 0.00 0.00 +0.174 HD ATOM 23 C LIG 1 1.290 7.524 1.701 0.00 0.00 +0.440 A ATOM 24 O LIG 1 2.129 8.389 1.892 0.00 0.00 -0.221 OA ATOM 25 O LIG 1 -0.055 7.645 1.959 0.00 0.00 -0.295 OA ATOM 26 N LIG 1 -0.653 6.396 1.584 0.00 0.00 -0.053 NA ENDBRANCH 5 20 BRANCH 8 27 ATOM 27 C LIG 1 2.821 2.055 -0.662 0.00 0.00 +0.022 A ATOM 28 C LIG 1 3.862 1.834 0.250 0.00 0.00 +0.033 A ATOM 29 C LIG 1 5.104 1.407 -0.207 0.00 0.00 +0.060 A ATOM 30 CL LIG 1 6.382 1.105 0.897 0.00 0.00 -0.082 Cl ATOM 31 C LIG 1 5.279 1.218 -1.569 0.00 0.00 +0.130 A ATOM 32 N LIG 1 4.308 1.434 -2.487 0.00 0.00 -0.261 NA ATOM 33 C LIG 1 3.113 1.862 -2.014 0.00 0.00 +0.120 A ENDBRANCH 8 27 BRANCH 1 34 ATOM 34 C LIG 1 0.850 -0.662 -0.877 0.00 0.00 +0.128 C BRANCH 34 39 ATOM 35 C LIG 1 3.335 -3.709 3.018 0.00 0.00 +0.007 C ATOM 36 C LIG 1 3.199 -3.178 1.590 0.00 0.00 -0.014 C ATOM 37 C LIG 1 2.031 -3.876 0.872 0.00 0.00 +0.003 C ATOM 38 C LIG 1 1.487 -3.018 -0.263 0.00 0.00 +0.005 C ATOM 39 C LIG 1 0.880 -1.701 0.265 0.00 0.00 +0.009 C ATOM 40 C LIG 1 1.615 -1.189 1.522 0.00 0.00 +0.005 C ATOM 41 C LIG 1 3.070 -1.645 1.568 0.00 0.00 +0.003 C ENDBRANCH 34 39 ENDBRANCH 1 34 TORSDOF 5