REMARK Name = BDB008186 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.384 0.151 0.485 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -3.105 0.982 2.046 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -2.052 1.237 1.194 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -1.466 2.036 1.411 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -3.649 -0.119 2.126 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -3.525 2.180 2.921 0.00 0.00 +0.156 C ATOM 7 C LIG 1 -2.565 2.326 4.094 0.00 0.00 +0.038 C BRANCH 6 10 ATOM 8 C LIG 1 -7.284 1.837 3.119 0.00 0.00 +0.109 C ATOM 9 C LIG 1 -5.956 2.358 2.639 0.00 0.00 +0.211 C ATOM 10 N LIG 1 -4.884 1.944 3.399 0.00 0.00 -0.304 N ATOM 11 H LIG 1 -5.014 1.070 3.895 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 -5.855 3.078 1.651 0.00 0.00 -0.276 OA ENDBRANCH 6 10 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 13 ATOM 13 C LIG 1 -0.097 -0.185 1.270 0.00 0.00 +0.234 C ATOM 14 N LIG 1 0.459 -1.411 0.964 0.00 0.00 -0.303 N ATOM 15 H LIG 1 0.188 -1.820 0.076 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 0.403 0.597 2.078 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 C LIG 1 1.825 -1.718 1.377 0.00 0.00 +0.156 C ATOM 18 C LIG 1 1.969 -3.201 1.687 0.00 0.00 +0.038 C BRANCH 17 19 ATOM 19 C LIG 1 2.763 -1.329 0.217 0.00 0.00 +0.233 C ATOM 20 N LIG 1 4.093 -1.218 0.566 0.00 0.00 -0.311 N ATOM 21 H LIG 1 4.377 -1.479 1.502 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 2.349 -1.173 -0.932 0.00 0.00 -0.274 OA BRANCH 20 23 ATOM 23 C LIG 1 5.130 -0.974 -0.426 0.00 0.00 +0.073 C ATOM 24 C LIG 1 5.493 -2.273 -1.166 0.00 0.00 +0.022 C ATOM 25 C LIG 1 6.923 -2.287 -1.714 0.00 0.00 +0.002 C ATOM 26 C LIG 1 7.420 -0.887 -2.043 0.00 0.00 +0.000 C ATOM 27 C LIG 1 7.430 0.018 -0.810 0.00 0.00 +0.002 C ATOM 28 C LIG 1 6.362 -0.344 0.224 0.00 0.00 +0.022 C ENDBRANCH 20 23 ENDBRANCH 17 19 ENDBRANCH 14 17 ENDBRANCH 1 13 BRANCH 1 29 ATOM 29 C LIG 1 -1.032 0.559 -0.951 0.00 0.00 +0.033 C BRANCH 29 30 ATOM 30 C LIG 1 -2.210 1.091 -1.777 0.00 0.00 +0.023 C BRANCH 30 31 ATOM 31 C LIG 1 -3.394 0.128 -1.857 0.00 0.00 +0.115 C BRANCH 31 32 ATOM 32 N LIG 1 -4.406 0.657 -2.749 0.00 0.00 -0.356 N ATOM 33 H LIG 1 -5.328 0.694 -2.327 0.00 0.00 +0.162 HD BRANCH 32 34 ATOM 34 C LIG 1 -4.453 0.448 -4.081 0.00 0.00 +0.188 C ATOM 35 N LIG 1 -3.551 -0.035 -4.850 0.00 0.00 -0.269 NA ATOM 36 H LIG 1 -2.724 -0.263 -4.301 0.00 0.00 +0.190 HD BRANCH 34 37 ATOM 37 N LIG 1 -5.629 0.842 -4.605 0.00 0.00 -0.370 N ATOM 38 H LIG 1 -5.567 0.802 -5.618 0.00 0.00 +0.159 HD ATOM 39 H LIG 1 -5.889 1.774 -4.308 0.00 0.00 +0.159 HD ENDBRANCH 34 37 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 13