REMARK Name = BDB046125 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.011 -2.068 0.131 0.00 0.00 +0.021 C ATOM 2 C LIG 1 -1.158 -1.447 0.019 0.00 0.00 -0.003 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -2.373 -2.237 -0.324 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -3.373 -1.676 -1.130 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -4.519 -2.406 -1.468 0.00 0.00 +0.012 A ATOM 6 C LIG 1 -4.702 -3.718 -1.010 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -3.700 -4.278 -0.207 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -2.552 -3.550 0.130 0.00 0.00 +0.009 A BRANCH 6 9 ATOM 9 C LIG 1 -5.893 -4.490 -1.360 0.00 0.00 +0.135 A ATOM 10 O LIG 1 -6.808 -3.873 -2.169 0.00 0.00 -0.463 OA ATOM 11 C LIG 1 -7.827 -4.746 -2.373 0.00 0.00 +0.196 A ATOM 12 C LIG 1 -7.588 -5.926 -1.711 0.00 0.00 +0.042 A ATOM 13 C LIG 1 -6.344 -5.763 -1.055 0.00 0.00 +0.050 A ENDBRANCH 6 9 ENDBRANCH 2 3 BRANCH 2 14 ATOM 14 C LIG 1 -1.131 0.028 0.251 0.00 0.00 -0.017 A ATOM 15 C LIG 1 -2.136 0.652 0.998 0.00 0.00 +0.009 A ATOM 16 C LIG 1 -2.079 2.028 1.266 0.00 0.00 +0.012 A ATOM 17 C LIG 1 -1.014 2.815 0.801 0.00 0.00 +0.017 A ATOM 18 C LIG 1 -0.016 2.191 0.044 0.00 0.00 +0.012 A ATOM 19 C LIG 1 -0.077 0.820 -0.233 0.00 0.00 +0.009 A BRANCH 17 20 ATOM 20 C LIG 1 -0.922 4.239 1.113 0.00 0.00 +0.135 A ATOM 21 O LIG 1 -2.049 4.834 1.611 0.00 0.00 -0.463 OA ATOM 22 C LIG 1 -1.757 6.140 1.836 0.00 0.00 +0.196 A ATOM 23 C LIG 1 -0.452 6.405 1.497 0.00 0.00 +0.042 A ATOM 24 C LIG 1 0.087 5.181 1.027 0.00 0.00 +0.050 A ENDBRANCH 17 20 ENDBRANCH 2 14 BRANCH 1 25 ATOM 25 C LIG 1 1.427 -2.599 0.276 0.00 0.00 +0.232 C BRANCH 25 26 ATOM 26 O LIG 1 2.719 -2.905 0.403 0.00 0.00 -0.472 OA BRANCH 26 30 ATOM 27 C LIG 1 5.150 0.464 0.065 0.00 0.00 -0.036 A ATOM 28 C LIG 1 5.481 -0.724 -0.585 0.00 0.00 +0.008 A ATOM 29 C LIG 1 4.657 -1.847 -0.446 0.00 0.00 +0.046 A ATOM 30 C LIG 1 3.505 -1.775 0.340 0.00 0.00 +0.122 A ATOM 31 C LIG 1 3.207 -0.594 1.034 0.00 0.00 +0.046 A ATOM 32 C LIG 1 4.022 0.527 0.881 0.00 0.00 +0.008 A BRANCH 27 33 ATOM 33 C LIG 1 5.946 1.636 -0.109 0.00 0.00 +0.059 C BRANCH 33 34 ATOM 34 C LIG 1 6.712 2.894 -0.245 0.00 0.00 +0.244 C BRANCH 34 35 ATOM 35 C LIG 1 5.827 4.178 -0.080 0.00 0.00 +0.385 C ATOM 36 O LIG 1 6.212 5.168 -0.778 0.00 0.00 -0.243 OA ATOM 37 O LIG 1 4.839 4.111 0.712 0.00 0.00 -0.243 OA ENDBRANCH 34 35 BRANCH 34 38 ATOM 38 O LIG 1 7.749 2.944 0.749 0.00 0.00 -0.351 OA BRANCH 38 40 ATOM 39 C LIG 1 10.097 1.540 -0.140 0.00 0.00 +0.035 C ATOM 40 C LIG 1 8.829 2.291 0.329 0.00 0.00 +0.142 C ENDBRANCH 38 40 ENDBRANCH 34 38 ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 12