REMARK Name = BDB034015 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.268 -1.192 0.358 0.00 0.00 +0.165 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.995 0.169 0.272 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -2.183 1.280 0.263 0.00 0.00 -0.313 N ATOM 4 H LIG 1 -1.207 1.133 -0.003 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 -4.226 0.240 0.236 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 C LIG 1 -2.724 2.606 0.033 0.00 0.00 +0.119 C BRANCH 6 7 ATOM 7 C LIG 1 -1.771 3.699 0.533 0.00 0.00 +0.096 C BRANCH 7 8 ATOM 8 N LIG 1 -2.292 5.042 0.289 0.00 0.00 -0.329 NA ATOM 9 H LIG 1 -1.656 5.728 0.694 0.00 0.00 +0.118 HD ATOM 10 H LIG 1 -3.180 5.158 0.778 0.00 0.00 +0.118 HD ENDBRANCH 7 8 ENDBRANCH 6 7 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 11 ATOM 11 N LIG 1 -3.310 -2.191 0.609 0.00 0.00 -0.303 N ATOM 12 H LIG 1 -4.271 -1.862 0.574 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 -3.020 -3.437 1.097 0.00 0.00 +0.217 C ATOM 14 O LIG 1 -1.877 -3.842 1.263 0.00 0.00 -0.275 OA BRANCH 13 15 ATOM 15 C LIG 1 -4.174 -4.316 1.432 0.00 0.00 +0.075 C ATOM 16 C LIG 1 -5.420 -3.781 2.098 0.00 0.00 +0.013 C ATOM 17 C LIG 1 -5.482 -4.267 0.678 0.00 0.00 +0.013 C ENDBRANCH 13 15 ENDBRANCH 1 11 BRANCH 1 18 ATOM 18 C LIG 1 -1.493 -1.501 -0.930 0.00 0.00 +0.094 C BRANCH 18 24 ATOM 19 C LIG 1 4.407 0.534 -0.689 0.00 0.00 -0.044 A ATOM 20 C LIG 1 3.733 -0.694 -0.816 0.00 0.00 +0.021 A ATOM 21 C LIG 1 2.327 -0.702 -0.824 0.00 0.00 +0.039 A ATOM 22 C LIG 1 1.582 0.470 -0.708 0.00 0.00 +0.078 A ATOM 23 N LIG 1 0.204 0.303 -0.725 0.00 0.00 -0.244 NA ATOM 24 C LIG 1 -0.089 -0.973 -0.865 0.00 0.00 +0.082 A ATOM 25 C LIG 1 2.264 1.695 -0.583 0.00 0.00 +0.029 A ATOM 26 S LIG 1 1.251 -2.038 -0.967 0.00 0.00 -0.072 S ATOM 27 C LIG 1 3.664 1.715 -0.575 0.00 0.00 +0.006 A BRANCH 19 29 ATOM 28 C LIG 1 6.489 1.336 -1.868 0.00 0.00 +0.012 C ATOM 29 C LIG 1 5.928 0.549 -0.681 0.00 0.00 +0.013 C ATOM 30 C LIG 1 6.478 1.090 0.641 0.00 0.00 +0.012 C ENDBRANCH 19 29 ENDBRANCH 18 24 ENDBRANCH 1 18 TORSDOF 9