REMARK Name = BDB046866 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.111 -2.099 -0.465 0.00 0.00 +0.037 C ATOM 2 C LIG 1 -0.793 -2.440 0.451 0.00 0.00 +0.013 C ATOM 3 C LIG 1 -1.387 -2.739 1.950 0.00 0.00 +0.001 C ATOM 4 C LIG 1 -0.208 -3.879 0.041 0.00 0.00 +0.001 C ATOM 5 C LIG 1 0.226 -1.235 0.472 0.00 0.00 +0.111 C ATOM 6 C LIG 1 0.562 -0.912 -0.973 0.00 0.00 +0.185 C ATOM 7 C LIG 1 0.300 0.475 -1.491 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -0.811 1.148 -1.075 0.00 0.00 +0.185 C ATOM 9 C LIG 1 -1.604 0.542 0.116 0.00 0.00 +0.108 C ATOM 10 O LIG 1 -1.288 2.256 -1.468 0.00 0.00 -0.291 OA ATOM 11 O LIG 1 0.962 -1.773 -1.761 0.00 0.00 -0.291 OA ATOM 12 C LIG 1 -0.532 -0.046 1.088 0.00 0.00 +0.163 C ATOM 13 O LIG 1 -0.414 0.321 2.259 0.00 0.00 -0.295 OA ATOM 14 C LIG 1 -2.322 -0.654 -0.323 0.00 0.00 +0.014 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 -1.874 -2.709 -3.070 0.00 0.00 -0.031 C ATOM 16 C LIG 1 -1.992 -2.456 -1.898 0.00 0.00 -0.035 C BRANCH 15 18 ATOM 17 C LIG 1 -2.763 -2.400 -5.443 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -1.723 -2.995 -4.455 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -1.149 -4.378 -4.866 0.00 0.00 +0.005 C ENDBRANCH 15 18 ENDBRANCH 1 16 BRANCH 7 20 ATOM 20 C LIG 1 1.333 1.006 -2.449 0.00 0.00 +0.200 C ATOM 21 O LIG 1 1.120 1.267 -3.628 0.00 0.00 -0.286 OA BRANCH 20 22 ATOM 22 C LIG 1 2.705 0.948 -1.866 0.00 0.00 +0.026 A ATOM 23 C LIG 1 2.925 1.370 -0.549 0.00 0.00 +0.066 A ATOM 24 C LIG 1 4.070 1.025 0.211 0.00 0.00 +0.226 A ATOM 25 O LIG 1 4.107 1.403 1.441 0.00 0.00 -0.284 OA ATOM 26 C LIG 1 5.081 0.221 -0.463 0.00 0.00 +0.225 A ATOM 27 O LIG 1 6.149 -0.245 0.084 0.00 0.00 -0.284 OA ATOM 28 C LIG 1 4.847 -0.088 -1.835 0.00 0.00 +0.055 A ATOM 29 C LIG 1 3.691 0.255 -2.536 0.00 0.00 +0.016 A ENDBRANCH 20 22 ENDBRANCH 7 20 BRANCH 9 30 ATOM 30 C LIG 1 -2.444 1.510 0.811 0.00 0.00 +0.018 C BRANCH 30 31 ATOM 31 C LIG 1 -3.067 2.739 1.283 0.00 0.00 +0.055 C BRANCH 31 32 ATOM 32 C LIG 1 -4.227 3.153 0.381 0.00 0.00 -0.044 C ATOM 33 C LIG 1 -5.483 2.223 0.068 0.00 0.00 -0.009 C ATOM 34 C LIG 1 -4.656 4.671 0.187 0.00 0.00 +0.026 C ENDBRANCH 31 32 BRANCH 31 35 ATOM 35 C LIG 1 -3.508 2.605 2.691 0.00 0.00 -0.032 C ATOM 36 C LIG 1 -3.830 2.472 3.843 0.00 0.00 -0.031 C BRANCH 36 37 ATOM 37 C LIG 1 -4.200 2.305 5.203 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -5.172 1.169 5.594 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -4.102 3.510 6.168 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 31 35 ENDBRANCH 30 31 ENDBRANCH 9 30 BRANCH 5 40 ATOM 40 C LIG 1 1.500 -1.494 1.189 0.00 0.00 +0.040 C BRANCH 40 41 ATOM 41 C LIG 1 2.934 -1.638 1.787 0.00 0.00 -0.034 C ATOM 42 C LIG 1 4.153 -1.752 2.261 0.00 0.00 -0.048 C ATOM 43 C LIG 1 4.765 -3.204 1.952 0.00 0.00 +0.026 C ATOM 44 C LIG 1 4.223 -1.545 3.849 0.00 0.00 +0.026 C ENDBRANCH 40 41 ENDBRANCH 5 40 TORSDOF 11