REMARK Name = BDB061240 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.927 -1.067 -0.174 0.00 0.00 +0.139 A ATOM 2 O LIG 1 -2.589 -1.267 -0.467 0.00 0.00 -0.454 OA ATOM 3 C LIG 1 -2.064 -2.540 -0.400 0.00 0.00 +0.154 A ATOM 4 C LIG 1 -2.847 -3.638 -0.039 0.00 0.00 +0.106 A ATOM 5 C LIG 1 -2.278 -4.912 0.035 0.00 0.00 +0.135 A ATOM 6 C LIG 1 -0.929 -5.094 -0.247 0.00 0.00 +0.092 A ATOM 7 C LIG 1 -0.149 -3.995 -0.611 0.00 0.00 +0.132 A ATOM 8 C LIG 1 -4.268 -3.422 0.256 0.00 0.00 +0.197 A ATOM 9 O LIG 1 -5.000 -4.355 0.568 0.00 0.00 -0.287 OA ATOM 10 C LIG 1 -0.694 -2.698 -0.701 0.00 0.00 +0.067 A ATOM 11 C LIG 1 -4.775 -2.048 0.163 0.00 0.00 +0.098 A ENDROOT BRANCH 1 16 ATOM 12 C LIG 1 -5.541 4.492 -0.641 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -5.152 3.047 -0.535 0.00 0.00 -0.050 A ATOM 14 C LIG 1 -5.675 2.244 0.482 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -5.286 0.906 0.603 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -4.363 0.341 -0.290 0.00 0.00 +0.017 A ATOM 17 C LIG 1 -3.823 1.162 -1.292 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -4.211 2.500 -1.413 0.00 0.00 +0.004 A ENDBRANCH 1 16 BRANCH 10 19 ATOM 19 C LIG 1 0.134 -1.543 -1.095 0.00 0.00 -0.010 A ATOM 20 C LIG 1 1.117 -1.034 -0.228 0.00 0.00 +0.020 A ATOM 21 C LIG 1 1.901 0.077 -0.580 0.00 0.00 +0.018 A ATOM 22 C LIG 1 1.698 0.671 -1.833 0.00 0.00 +0.011 A ATOM 23 C LIG 1 0.729 0.178 -2.707 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -0.047 -0.920 -2.339 0.00 0.00 +0.009 A BRANCH 21 25 ATOM 25 C LIG 1 2.937 0.605 0.327 0.00 0.00 +0.139 A ATOM 26 O LIG 1 4.132 0.914 -0.295 0.00 0.00 -0.454 OA ATOM 27 C LIG 1 5.161 1.406 0.470 0.00 0.00 +0.146 A ATOM 28 C LIG 1 5.058 1.634 1.847 0.00 0.00 +0.105 A ATOM 29 C LIG 1 6.168 2.141 2.536 0.00 0.00 +0.135 A ATOM 30 C LIG 1 7.358 2.413 1.856 0.00 0.00 +0.091 A ATOM 31 C LIG 1 7.438 2.179 0.487 0.00 0.00 +0.124 A ATOM 32 C LIG 1 3.767 1.321 2.501 0.00 0.00 +0.197 A ATOM 33 O LIG 1 3.533 1.478 3.692 0.00 0.00 -0.287 OA ATOM 34 C LIG 1 6.350 1.677 -0.214 0.00 0.00 +0.092 A ATOM 35 C LIG 1 2.704 0.783 1.633 0.00 0.00 +0.098 A BRANCH 31 36 ATOM 36 O LIG 1 8.619 2.458 -0.134 0.00 0.00 -0.507 OA ATOM 37 H LIG 1 8.541 2.240 -1.078 0.00 0.00 +0.292 HD ENDBRANCH 31 36 BRANCH 29 38 ATOM 38 O LIG 1 6.113 2.378 3.880 0.00 0.00 -0.506 OA ATOM 39 H LIG 1 6.962 2.726 4.196 0.00 0.00 +0.292 HD ENDBRANCH 29 38 ENDBRANCH 21 25 ENDBRANCH 10 19 BRANCH 7 40 ATOM 40 O LIG 1 1.178 -4.183 -0.895 0.00 0.00 -0.506 OA ATOM 41 H LIG 1 1.397 -5.125 -0.806 0.00 0.00 +0.292 HD ENDBRANCH 7 40 BRANCH 5 42 ATOM 42 O LIG 1 -2.988 -6.030 0.381 0.00 0.00 -0.506 OA ATOM 43 H LIG 1 -3.920 -5.763 0.553 0.00 0.00 +0.292 HD ENDBRANCH 5 42 TORSDOF 7