REMARK Name = BDB001572 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.536 -0.696 -1.064 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.024 -1.273 -2.181 0.00 0.00 -0.288 N ATOM 3 C LIG 1 1.077 -2.290 -2.059 0.00 0.00 +0.162 C ATOM 4 C LIG 1 1.136 -2.952 -3.445 0.00 0.00 +0.033 C ATOM 5 C LIG 1 -0.201 -2.601 -4.086 0.00 0.00 +0.021 C ATOM 6 C LIG 1 -0.492 -1.215 -3.538 0.00 0.00 +0.109 C ATOM 7 O LIG 1 -0.217 -1.071 0.070 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 2.414 -1.595 -1.695 0.00 0.00 +0.238 C ATOM 9 N LIG 1 2.592 -1.470 -0.328 0.00 0.00 -0.283 N ATOM 10 H LIG 1 1.817 -1.797 0.258 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 3.163 -1.149 -2.562 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 3.667 -0.884 0.388 0.00 0.00 +0.044 A ATOM 13 C LIG 1 3.615 -0.840 1.811 0.00 0.00 +0.040 A ATOM 14 C LIG 1 4.690 -0.215 2.489 0.00 0.00 +0.013 A ATOM 15 C LIG 1 5.778 0.331 1.808 0.00 0.00 +0.001 A ATOM 16 C LIG 1 5.821 0.267 0.425 0.00 0.00 +0.002 A ATOM 17 C LIG 1 4.775 -0.336 -0.278 0.00 0.00 +0.024 A BRANCH 13 18 ATOM 18 C LIG 1 2.509 -1.415 2.613 0.00 0.00 +0.161 A ATOM 19 N LIG 1 2.320 -0.937 3.862 0.00 0.00 -0.236 NA ATOM 20 C LIG 1 1.305 -1.472 4.567 0.00 0.00 +0.114 A ATOM 21 C LIG 1 0.479 -2.456 4.084 0.00 0.00 +0.039 A ATOM 22 C LIG 1 0.753 -2.882 2.808 0.00 0.00 +0.114 A ATOM 23 N LIG 1 1.758 -2.389 2.058 0.00 0.00 -0.236 NA ENDBRANCH 13 18 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 24 ATOM 24 C LIG 1 -1.500 0.501 -1.257 0.00 0.00 +0.162 C BRANCH 24 25 ATOM 25 C LIG 1 -0.736 1.758 -1.738 0.00 0.00 +0.018 C ATOM 26 C LIG 1 0.332 2.249 -0.741 0.00 0.00 +0.006 C ATOM 27 C LIG 1 1.063 3.484 -1.266 0.00 0.00 +0.000 C ATOM 28 C LIG 1 0.091 4.605 -1.618 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -0.978 4.133 -2.599 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -1.712 2.898 -2.081 0.00 0.00 +0.006 C ENDBRANCH 24 25 BRANCH 24 32 ATOM 31 C LIG 1 -3.358 0.053 0.300 0.00 0.00 +0.230 C ATOM 32 N LIG 1 -2.183 0.724 0.018 0.00 0.00 -0.302 N ATOM 33 H LIG 1 -1.566 0.868 0.810 0.00 0.00 +0.150 HD ATOM 34 O LIG 1 -3.978 -0.598 -0.540 0.00 0.00 -0.274 OA BRANCH 31 35 ATOM 35 C LIG 1 -3.797 0.147 1.781 0.00 0.00 +0.137 C ATOM 36 C LIG 1 -3.177 -1.034 2.527 0.00 0.00 +0.034 C BRANCH 35 38 ATOM 37 C LIG 1 -5.828 0.179 3.163 0.00 0.00 +0.101 C ATOM 38 N LIG 1 -5.269 0.199 1.825 0.00 0.00 -0.309 NA ATOM 39 H LIG 1 -5.640 -0.572 1.263 0.00 0.00 +0.122 HD ENDBRANCH 35 38 ENDBRANCH 31 35 ENDBRANCH 24 32 ENDBRANCH 1 24 TORSDOF 8