REMARK Name = BDB003754 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.042 0.561 -1.239 0.00 0.00 +0.019 C ATOM 2 C LIG 1 1.394 -0.995 -1.052 0.00 0.00 +0.014 C ATOM 3 C LIG 1 1.079 -1.878 -2.325 0.00 0.00 +0.001 C ATOM 4 C LIG 1 0.748 -1.575 0.297 0.00 0.00 +0.108 C ATOM 5 C LIG 1 1.368 -0.767 1.470 0.00 0.00 +0.163 C ATOM 6 C LIG 1 0.829 0.674 1.550 0.00 0.00 +0.108 C ATOM 7 C LIG 1 -0.588 0.481 2.062 0.00 0.00 +0.171 C ATOM 8 C LIG 1 -1.427 -0.442 1.250 0.00 0.00 +0.177 C ATOM 9 O LIG 1 -1.002 0.954 3.116 0.00 0.00 -0.295 OA ATOM 10 O LIG 1 2.212 -1.231 2.235 0.00 0.00 -0.295 OA ATOM 11 C LIG 1 -0.795 -1.436 0.320 0.00 0.00 +0.171 C ATOM 12 O LIG 1 -1.505 -2.172 -0.361 0.00 0.00 -0.295 OA ATOM 13 C LIG 1 0.883 1.066 0.137 0.00 0.00 +0.011 C ENDROOT BRANCH 8 14 ATOM 14 C LIG 1 -2.900 -0.295 1.289 0.00 0.00 +0.186 C ATOM 15 O LIG 1 -3.591 -1.048 1.961 0.00 0.00 -0.290 OA BRANCH 14 16 ATOM 16 C LIG 1 -3.424 0.741 0.369 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -2.716 1.931 0.187 0.00 0.00 +0.066 A ATOM 18 C LIG 1 -2.891 2.795 -0.909 0.00 0.00 +0.226 A ATOM 19 O LIG 1 -2.033 3.744 -1.043 0.00 0.00 -0.284 OA ATOM 20 C LIG 1 -3.992 2.481 -1.802 0.00 0.00 +0.225 A ATOM 21 O LIG 1 -4.291 3.131 -2.869 0.00 0.00 -0.284 OA ATOM 22 C LIG 1 -4.775 1.330 -1.485 0.00 0.00 +0.055 A ATOM 23 C LIG 1 -4.496 0.451 -0.442 0.00 0.00 +0.015 A ENDBRANCH 14 16 ENDBRANCH 8 14 BRANCH 1 24 ATOM 24 C LIG 1 -0.115 0.813 -2.100 0.00 0.00 +0.021 C BRANCH 24 27 ATOM 25 C LIG 1 -2.856 0.078 -4.577 0.00 0.00 +0.026 C ATOM 26 C LIG 1 -2.102 1.397 -4.080 0.00 0.00 -0.048 C ATOM 27 C LIG 1 -1.224 1.133 -3.142 0.00 0.00 -0.035 C ATOM 28 C LIG 1 -1.427 2.103 -5.342 0.00 0.00 +0.026 C ENDBRANCH 24 27 ENDBRANCH 1 24 BRANCH 2 29 ATOM 29 C LIG 1 2.894 -1.075 -0.913 0.00 0.00 +0.026 C BRANCH 29 30 ATOM 30 C LIG 1 4.436 -1.151 -0.760 0.00 0.00 -0.035 C ATOM 31 C LIG 1 5.723 -1.208 -0.616 0.00 0.00 -0.048 C ATOM 32 C LIG 1 6.357 -0.770 0.711 0.00 0.00 +0.026 C ATOM 33 C LIG 1 6.622 -1.629 -1.786 0.00 0.00 +0.026 C ENDBRANCH 29 30 ENDBRANCH 2 29 BRANCH 6 34 ATOM 34 C LIG 1 1.648 1.528 2.416 0.00 0.00 +0.039 C BRANCH 34 35 ATOM 35 C LIG 1 2.469 2.428 3.377 0.00 0.00 -0.034 C ATOM 36 C LIG 1 3.149 3.169 4.197 0.00 0.00 -0.048 C ATOM 37 C LIG 1 4.200 4.150 3.646 0.00 0.00 +0.026 C ATOM 38 C LIG 1 3.210 2.790 5.689 0.00 0.00 +0.026 C ENDBRANCH 34 35 ENDBRANCH 6 34 BRANCH 4 39 ATOM 39 C LIG 1 1.084 -3.022 0.492 0.00 0.00 +0.039 C BRANCH 39 40 ATOM 40 C LIG 1 1.468 -4.517 0.648 0.00 0.00 -0.034 C ATOM 41 C LIG 1 1.831 -5.758 0.759 0.00 0.00 -0.048 C ATOM 42 C LIG 1 3.301 -6.130 0.484 0.00 0.00 +0.026 C ATOM 43 C LIG 1 0.927 -6.775 1.471 0.00 0.00 +0.026 C ENDBRANCH 39 40 ENDBRANCH 4 39 TORSDOF 10