REMARK Name = BDB036340 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.598 -0.985 -0.422 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -0.764 -2.246 -1.046 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.311 -2.926 -1.626 0.00 0.00 -0.010 A ATOM 4 C LIG 1 -0.100 -4.175 -2.206 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -1.442 -4.418 -2.057 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.600 -2.335 -1.575 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.819 -1.103 -0.949 0.00 0.00 -0.039 A ATOM 8 S LIG 1 -2.225 -3.159 -1.224 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.709 -0.448 -0.398 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.724 -0.194 0.225 0.00 0.00 +0.121 C BRANCH 10 20 ATOM 11 C LIG 1 -3.993 1.232 -1.866 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -4.672 0.384 -0.937 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -4.893 0.973 0.278 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -3.993 1.768 0.996 0.00 0.00 +0.100 A ATOM 15 N LIG 1 -4.333 2.300 2.208 0.00 0.00 -0.255 NA ATOM 16 C LIG 1 -5.552 2.015 2.716 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -6.476 1.211 2.082 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -2.564 2.080 0.558 0.00 0.00 +0.106 C ATOM 19 C LIG 1 -2.432 3.539 0.089 0.00 0.00 +0.031 C ATOM 20 N LIG 1 -1.892 1.146 -0.373 0.00 0.00 -0.286 NA ATOM 21 C LIG 1 -6.134 0.680 0.846 0.00 0.00 +0.049 A ATOM 22 C LIG 1 -2.461 1.105 -1.730 0.00 0.00 +0.130 C BRANCH 11 24 ATOM 23 C LIG 1 -4.337 -0.582 -3.677 0.00 0.00 +0.007 C ATOM 24 C LIG 1 -4.483 0.884 -3.284 0.00 0.00 +0.042 C ENDBRANCH 11 24 ENDBRANCH 10 20 ENDBRANCH 1 10 BRANCH 7 25 ATOM 25 C LIG 1 3.184 -0.416 -0.882 0.00 0.00 +0.060 C BRANCH 25 26 ATOM 26 C LIG 1 3.646 0.009 0.525 0.00 0.00 -0.033 A ATOM 27 C LIG 1 3.582 -0.819 1.683 0.00 0.00 -0.017 A ATOM 28 C LIG 1 3.011 -2.209 1.682 0.00 0.00 +0.046 C ATOM 29 C LIG 1 4.053 -0.271 2.903 0.00 0.00 +0.117 A ATOM 30 N LIG 1 4.081 -0.833 4.156 0.00 0.00 -0.129 NA ATOM 31 N LIG 1 4.610 0.044 4.995 0.00 0.00 -0.065 NA ATOM 32 N LIG 1 4.916 1.146 4.288 0.00 0.00 -0.246 N ATOM 33 C LIG 1 5.517 2.267 4.961 0.00 0.00 +0.175 C ATOM 34 C LIG 1 4.582 1.014 2.965 0.00 0.00 +0.107 A ATOM 35 C LIG 1 4.674 1.827 1.841 0.00 0.00 +0.068 A ATOM 36 CL LIG 1 5.324 3.415 1.877 0.00 0.00 -0.081 Cl ATOM 37 C LIG 1 4.200 1.306 0.634 0.00 0.00 +0.026 A ENDBRANCH 25 26 BRANCH 25 38 ATOM 38 C LIG 1 4.340 -0.980 -1.733 0.00 0.00 +0.133 C BRANCH 38 39 ATOM 39 C LIG 1 5.138 -2.086 -1.103 0.00 0.00 +0.306 C ATOM 40 O LIG 1 6.058 -1.952 -0.315 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 4.770 -3.313 -1.513 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 5.377 -3.912 -1.026 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 25 38 ENDBRANCH 7 25 TORSDOF 8