REMARK Name = BDB000262 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.922 -1.381 -0.602 0.00 0.00 +0.075 C ATOM 2 C LIG 1 2.180 -1.329 0.776 0.00 0.00 +0.038 C ATOM 3 C LIG 1 2.441 -2.649 1.537 0.00 0.00 +0.025 C ATOM 4 C LIG 1 2.118 -3.880 0.695 0.00 0.00 +0.081 C ATOM 5 N LIG 1 2.920 -3.911 -0.527 0.00 0.00 -0.314 NA ATOM 6 H LIG 1 3.909 -3.933 -0.280 0.00 0.00 +0.122 HD ATOM 7 C LIG 1 2.656 -2.722 -1.345 0.00 0.00 +0.100 C ENDROOT BRANCH 2 8 ATOM 8 C LIG 1 0.698 -0.959 0.831 0.00 0.00 -0.042 A ATOM 9 C LIG 1 0.153 -0.565 2.066 0.00 0.00 +0.007 A ATOM 10 C LIG 1 -1.195 -0.216 2.187 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -2.039 -0.243 1.078 0.00 0.00 +0.121 A ATOM 12 C LIG 1 -1.514 -0.625 -0.153 0.00 0.00 +0.046 A ATOM 13 C LIG 1 -0.161 -0.976 -0.273 0.00 0.00 +0.007 A BRANCH 11 14 ATOM 14 O LIG 1 -3.331 0.116 1.338 0.00 0.00 -0.492 OA BRANCH 14 15 ATOM 15 C LIG 1 -4.250 0.218 0.249 0.00 0.00 +0.231 C BRANCH 15 16 ATOM 16 C LIG 1 -4.919 -1.131 -0.010 0.00 0.00 +0.069 C BRANCH 16 17 ATOM 17 C LIG 1 -5.863 -1.084 -1.206 0.00 0.00 +0.163 C BRANCH 17 18 ATOM 18 O LIG 1 -6.828 -0.041 -1.102 0.00 0.00 -0.375 OA BRANCH 18 19 ATOM 19 C LIG 1 -7.923 -0.371 -0.240 0.00 0.00 +0.198 C BRANCH 19 20 ATOM 20 C LIG 1 -8.954 0.737 -0.190 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -10.095 0.585 0.624 0.00 0.00 +0.125 A ATOM 22 C LIG 1 -11.053 1.605 0.674 0.00 0.00 +0.046 A ATOM 23 C LIG 1 -10.885 2.771 -0.077 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -9.762 2.926 -0.881 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -8.802 1.916 -0.938 0.00 0.00 +0.009 A BRANCH 21 26 ATOM 26 O LIG 1 -10.174 -0.594 1.321 0.00 0.00 -0.495 OA ATOM 27 C LIG 1 -11.300 -0.775 2.171 0.00 0.00 +0.277 C ENDBRANCH 21 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 2 8 BRANCH 1 28 ATOM 28 N LIG 1 2.685 -0.249 -1.520 0.00 0.00 -0.308 NA ATOM 29 H LIG 1 3.201 -0.402 -2.385 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 3.043 1.068 -0.990 0.00 0.00 +0.116 C BRANCH 30 35 ATOM 31 C LIG 1 8.737 1.785 -0.267 0.00 0.00 +0.067 A ATOM 32 C LIG 1 7.344 1.621 -0.500 0.00 0.00 -0.004 A ATOM 33 C LIG 1 6.494 1.491 0.626 0.00 0.00 -0.017 A ATOM 34 C LIG 1 5.109 1.321 0.451 0.00 0.00 +0.013 A ATOM 35 C LIG 1 4.531 1.268 -0.824 0.00 0.00 -0.033 A ATOM 36 C LIG 1 5.362 1.395 -1.939 0.00 0.00 +0.005 A ATOM 37 C LIG 1 7.033 1.528 1.923 0.00 0.00 +0.008 A ATOM 38 C LIG 1 8.400 1.691 2.131 0.00 0.00 +0.001 A ATOM 39 C LIG 1 6.740 1.565 -1.780 0.00 0.00 +0.009 A ATOM 40 C LIG 1 9.251 1.820 1.041 0.00 0.00 +0.015 A BRANCH 31 41 ATOM 41 C LIG 1 9.697 1.955 -1.390 0.00 0.00 +0.340 C ATOM 42 O LIG 1 9.508 2.652 -2.372 0.00 0.00 -0.245 OA BRANCH 41 44 ATOM 43 C LIG 1 11.784 1.265 -2.178 0.00 0.00 +0.280 C ATOM 44 O LIG 1 10.797 1.195 -1.148 0.00 0.00 -0.464 OA ENDBRANCH 41 44 ENDBRANCH 31 41 ENDBRANCH 30 35 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 14