REMARK Name = BDB005765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.289 -0.081 0.896 0.00 0.00 -0.310 N ATOM 2 C LIG 1 -1.519 -1.370 0.446 0.00 0.00 +0.096 A ATOM 3 C LIG 1 -0.241 -1.849 0.168 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -0.055 -3.118 -0.382 0.00 0.00 +0.061 A ATOM 5 C LIG 1 -1.207 -3.844 -0.622 0.00 0.00 +0.112 A ATOM 6 N LIG 1 -2.452 -3.393 -0.337 0.00 0.00 -0.241 NA ATOM 7 N LIG 1 0.720 -0.938 0.505 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -2.644 -2.167 0.214 0.00 0.00 +0.099 A ATOM 9 C LIG 1 0.080 0.102 0.981 0.00 0.00 +0.200 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 0.618 1.251 1.482 0.00 0.00 -0.293 N ATOM 11 C LIG 1 1.933 1.706 0.921 0.00 0.00 +0.107 C ATOM 12 C LIG 1 3.106 0.872 1.484 0.00 0.00 +0.153 C ATOM 13 C LIG 1 4.427 1.390 0.891 0.00 0.00 +0.118 C ATOM 14 N LIG 1 4.459 1.450 -0.583 0.00 0.00 -0.296 NA ATOM 15 C LIG 1 3.338 2.259 -1.087 0.00 0.00 +0.087 C ATOM 16 O LIG 1 3.144 0.992 2.923 0.00 0.00 -0.372 OA ATOM 17 C LIG 1 1.917 0.503 3.492 0.00 0.00 +0.179 C ATOM 18 C LIG 1 1.960 1.797 -0.605 0.00 0.00 +0.040 C ATOM 19 C LIG 1 0.694 1.284 2.972 0.00 0.00 +0.136 C BRANCH 14 20 ATOM 20 C LIG 1 4.491 0.119 -1.217 0.00 0.00 +0.119 C BRANCH 20 21 ATOM 21 C LIG 1 5.760 -0.655 -0.930 0.00 0.00 -0.033 A ATOM 22 C LIG 1 5.715 -1.866 -0.224 0.00 0.00 +0.005 A ATOM 23 C LIG 1 6.888 -2.579 0.032 0.00 0.00 +0.000 A ATOM 24 C LIG 1 8.114 -2.090 -0.415 0.00 0.00 +0.000 A ATOM 25 C LIG 1 8.172 -0.887 -1.115 0.00 0.00 +0.000 A ATOM 26 C LIG 1 7.001 -0.172 -1.372 0.00 0.00 +0.005 A ENDBRANCH 20 21 ENDBRANCH 14 20 ENDBRANCH 9 10 BRANCH 5 27 ATOM 27 C LIG 1 -1.156 -5.203 -1.218 0.00 0.00 +0.201 A ATOM 28 N LIG 1 0.009 -5.837 -1.435 0.00 0.00 -0.270 N ATOM 29 H LIG 1 0.954 -5.564 -1.241 0.00 0.00 +0.174 HD ATOM 30 C LIG 1 -0.294 -7.033 -1.964 0.00 0.00 +0.440 A ATOM 31 O LIG 1 0.514 -7.891 -2.279 0.00 0.00 -0.221 OA ATOM 32 O LIG 1 -1.654 -7.127 -2.085 0.00 0.00 -0.295 OA ATOM 33 N LIG 1 -2.185 -5.900 -1.578 0.00 0.00 -0.053 NA ENDBRANCH 5 27 BRANCH 8 34 ATOM 34 C LIG 1 -4.020 -1.825 0.530 0.00 0.00 +0.022 A ATOM 35 C LIG 1 -4.476 -1.724 1.851 0.00 0.00 +0.033 A ATOM 36 C LIG 1 -5.805 -1.395 2.103 0.00 0.00 +0.060 A ATOM 37 CL LIG 1 -6.372 -1.240 3.715 0.00 0.00 -0.082 Cl ATOM 38 C LIG 1 -6.651 -1.182 1.026 0.00 0.00 +0.130 A ATOM 39 N LIG 1 -6.259 -1.285 -0.265 0.00 0.00 -0.261 NA ATOM 40 C LIG 1 -4.964 -1.627 -0.479 0.00 0.00 +0.120 A ENDBRANCH 8 34 BRANCH 1 41 ATOM 41 C LIG 1 -2.283 0.948 1.154 0.00 0.00 +0.128 C BRANCH 41 46 ATOM 42 C LIG 1 -4.481 4.445 -2.999 0.00 0.00 +0.007 C ATOM 43 C LIG 1 -3.809 3.855 -1.761 0.00 0.00 -0.014 C ATOM 44 C LIG 1 -2.595 3.006 -2.156 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -1.932 2.360 -0.940 0.00 0.00 +0.005 C ATOM 46 C LIG 1 -2.930 1.533 -0.115 0.00 0.00 +0.009 C ATOM 47 C LIG 1 -4.146 2.389 0.273 0.00 0.00 +0.005 C ATOM 48 C LIG 1 -4.808 3.025 -0.947 0.00 0.00 +0.003 C ENDBRANCH 41 46 ENDBRANCH 1 41 TORSDOF 7