REMARK Name = BDB010412 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.576 -0.585 -0.939 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.196 -0.799 -0.916 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.380 -1.661 -1.839 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.730 -1.733 -1.696 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -2.015 -0.990 -0.654 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.303 -2.343 -2.770 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 1.614 -2.121 -2.697 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.878 -0.373 -0.158 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.272 -1.298 -1.847 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -3.259 -0.782 -0.136 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -3.603 -1.438 1.150 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.103 -1.792 1.267 0.00 0.00 +0.139 C ATOM 13 C LIG 1 -5.127 -2.692 2.497 0.00 0.00 +0.033 C ATOM 14 C LIG 1 -3.849 -3.526 2.389 0.00 0.00 +0.004 C ATOM 15 O LIG 1 -5.639 -2.537 0.165 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 -5.042 -2.217 -1.101 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -2.923 -2.787 1.418 0.00 0.00 +0.025 C ATOM 18 C LIG 1 -4.363 -0.845 -1.125 0.00 0.00 +0.136 C ENDBRANCH 5 10 BRANCH 7 19 ATOM 19 C LIG 1 2.476 -2.837 -3.664 0.00 0.00 +0.220 A ATOM 20 N LIG 1 3.804 -2.634 -3.628 0.00 0.00 -0.269 N ATOM 21 H LIG 1 4.306 -2.032 -2.998 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 4.342 -3.388 -4.593 0.00 0.00 +0.440 A ATOM 23 O LIG 1 5.529 -3.463 -4.863 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 3.331 -4.063 -5.231 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 2.113 -3.670 -4.585 0.00 0.00 -0.051 NA ENDBRANCH 7 19 BRANCH 1 26 ATOM 26 N LIG 1 2.225 0.297 -0.094 0.00 0.00 -0.324 N ATOM 27 H LIG 1 1.685 1.140 0.059 0.00 0.00 +0.148 HD BRANCH 26 29 ATOM 28 C LIG 1 4.035 1.259 -1.491 0.00 0.00 +0.028 C ATOM 29 C LIG 1 3.663 0.581 -0.173 0.00 0.00 +0.072 C BRANCH 29 30 ATOM 30 C LIG 1 4.548 -0.646 0.097 0.00 0.00 +0.009 C ATOM 31 C LIG 1 6.004 -0.352 0.561 0.00 0.00 +0.005 C ATOM 32 C LIG 1 5.522 -0.521 2.014 0.00 0.00 +0.001 C ATOM 33 C LIG 1 4.353 -1.358 1.466 0.00 0.00 +0.005 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 8 34 ATOM 34 C LIG 1 -0.851 0.545 0.964 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -1.518 1.912 0.705 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -0.946 2.618 -0.541 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -1.147 4.126 -0.469 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -0.368 4.736 0.709 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -0.988 6.074 1.115 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -0.266 3.776 1.909 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.437 2.800 1.965 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 7