REMARK Name = BDB037732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.211 1.591 -1.933 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.877 0.737 -1.038 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.662 -0.633 -0.965 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.543 -1.112 0.041 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.246 -0.095 0.561 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.285 -1.313 -1.916 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.421 -0.318 -2.245 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -1.857 1.008 -0.106 0.00 0.00 -0.246 N ATOM 9 C LIG 1 0.821 1.024 -2.723 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.296 1.612 -3.699 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.743 -2.480 0.545 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.039 -2.972 0.522 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.220 -2.320 0.034 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.406 -3.157 0.439 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.878 -4.329 1.232 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -5.263 -1.747 0.945 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.348 -4.328 0.996 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.814 -3.161 0.977 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -2.978 -5.342 -0.015 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -2.713 -6.138 -0.819 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -2.453 2.274 0.310 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -1.571 2.987 1.340 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -2.211 4.303 1.753 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -3.529 4.091 2.252 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -4.400 3.510 1.284 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -3.887 2.143 0.858 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 2.297 -0.004 -1.109 0.00 0.00 -0.299 N ATOM 28 H LIG 1 1.857 0.181 -0.219 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.660 0.117 -1.250 0.00 0.00 +0.245 C ATOM 30 O LIG 1 4.260 -0.146 -2.285 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 4.413 0.549 -0.040 0.00 0.00 +0.037 A ATOM 32 C LIG 1 5.737 0.107 0.103 0.00 0.00 +0.020 A ATOM 33 C LIG 1 6.443 0.498 1.227 0.00 0.00 -0.002 A ATOM 34 C LIG 1 7.850 0.233 1.600 0.00 0.00 +0.080 C ATOM 35 C LIG 1 7.807 0.711 3.053 0.00 0.00 +0.234 C ATOM 36 O LIG 1 6.702 1.632 3.219 0.00 0.00 -0.491 OA ATOM 37 C LIG 1 5.865 1.322 2.179 0.00 0.00 +0.124 A ATOM 38 C LIG 1 4.576 1.795 2.052 0.00 0.00 +0.046 A ATOM 39 C LIG 1 3.841 1.403 0.928 0.00 0.00 +0.016 A ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 40 ATOM 40 C LIG 1 0.702 -2.733 -1.599 0.00 0.00 -0.001 C ATOM 41 C LIG 1 1.754 -3.115 -0.584 0.00 0.00 +0.004 C ATOM 42 C LIG 1 2.018 -3.331 -2.048 0.00 0.00 +0.004 C ENDBRANCH 6 40 BRANCH 1 44 ATOM 43 C LIG 1 -1.738 2.998 -3.280 0.00 0.00 +0.025 C ATOM 44 C LIG 1 -0.589 2.957 -2.284 0.00 0.00 +0.112 C ENDBRANCH 1 44 TORSDOF 7