REMARK Name = BDB030788 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.731 -3.688 -0.221 0.00 0.00 +0.031 C ATOM 2 C LIG 1 -5.995 -2.224 0.120 0.00 0.00 +0.105 C ATOM 3 N LIG 1 -4.825 -1.448 -0.288 0.00 0.00 -0.337 N ATOM 4 H LIG 1 -4.628 -1.499 -1.288 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -4.382 -0.259 0.286 0.00 0.00 +0.056 A ATOM 6 C LIG 1 -2.976 0.122 -0.035 0.00 0.00 +0.022 A ATOM 7 C LIG 1 -2.468 1.362 0.381 0.00 0.00 +0.054 A ATOM 8 N LIG 1 -3.265 2.204 1.202 0.00 0.00 -0.310 N ATOM 9 C LIG 1 -4.513 1.802 1.661 0.00 0.00 +0.267 A ATOM 10 O LIG 1 -5.131 2.428 2.523 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 -2.729 3.467 1.690 0.00 0.00 +0.152 C ATOM 12 C LIG 1 -1.167 1.727 0.003 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -0.360 0.862 -0.742 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -0.808 -0.405 -1.102 0.00 0.00 +0.033 A ATOM 15 C LIG 1 -2.126 -0.745 -0.760 0.00 0.00 +0.035 A ATOM 16 C LIG 1 -5.095 0.557 1.090 0.00 0.00 +0.145 A ATOM 17 C LIG 1 -6.538 0.343 1.314 0.00 0.00 +0.346 C ATOM 18 O LIG 1 -7.364 1.204 1.027 0.00 0.00 -0.245 OA ATOM 19 O LIG 1 -6.933 -0.820 1.891 0.00 0.00 -0.459 OA ATOM 20 C LIG 1 -6.246 -2.057 1.627 0.00 0.00 +0.254 C ENDROOT BRANCH 14 21 ATOM 21 N LIG 1 -0.046 -1.306 -1.870 0.00 0.00 -0.298 N ATOM 22 H LIG 1 -0.468 -2.227 -1.935 0.00 0.00 +0.154 HD BRANCH 21 23 ATOM 23 C LIG 1 1.365 -1.419 -2.009 0.00 0.00 +0.147 A ATOM 24 C LIG 1 1.875 -2.300 -2.952 0.00 0.00 +0.099 A ATOM 25 CL LIG 1 0.889 -3.309 -3.935 0.00 0.00 -0.078 Cl ATOM 26 C LIG 1 3.242 -2.343 -3.059 0.00 0.00 +0.137 A ATOM 27 N LIG 1 4.072 -1.593 -2.309 0.00 0.00 -0.221 NA ATOM 28 C LIG 1 3.520 -0.761 -1.411 0.00 0.00 +0.220 A ATOM 29 N LIG 1 2.187 -0.657 -1.257 0.00 0.00 -0.198 NA BRANCH 28 30 ATOM 30 N LIG 1 4.355 -0.002 -0.596 0.00 0.00 -0.299 N ATOM 31 C LIG 1 3.712 1.129 0.077 0.00 0.00 +0.111 C ATOM 32 C LIG 1 4.708 1.879 0.981 0.00 0.00 +0.007 C ATOM 33 C LIG 1 5.903 2.330 0.148 0.00 0.00 +0.010 C ATOM 34 C LIG 1 6.576 0.984 -0.101 0.00 0.00 +0.007 C ATOM 35 C LIG 1 6.580 0.348 1.299 0.00 0.00 +0.005 C ATOM 36 C LIG 1 5.353 0.936 2.010 0.00 0.00 +0.005 C ATOM 37 C LIG 1 5.724 0.164 -1.089 0.00 0.00 +0.111 C ENDBRANCH 28 30 ENDBRANCH 21 23 ENDBRANCH 14 21 TORSDOF 3