REMARK Name = BDB030751 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.200 -3.587 1.895 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -4.123 -3.631 0.367 0.00 0.00 +0.071 C ATOM 3 N LIG 1 -3.268 -2.561 -0.155 0.00 0.00 -0.338 N ATOM 4 H LIG 1 -2.298 -2.754 0.090 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -3.538 -1.183 -0.045 0.00 0.00 +0.084 A ATOM 6 C LIG 1 -2.394 -0.255 -0.274 0.00 0.00 +0.025 A ATOM 7 C LIG 1 -2.502 1.099 0.076 0.00 0.00 +0.054 A ATOM 8 N LIG 1 -3.745 1.606 0.544 0.00 0.00 -0.308 N ATOM 9 C LIG 1 -4.888 0.819 0.574 0.00 0.00 +0.295 A ATOM 10 O LIG 1 -6.002 1.270 0.853 0.00 0.00 -0.264 OA ATOM 11 C LIG 1 -3.875 3.011 0.900 0.00 0.00 +0.152 C ATOM 12 C LIG 1 -1.387 1.938 -0.085 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -0.191 1.458 -0.626 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -0.079 0.137 -1.045 0.00 0.00 +0.032 A ATOM 15 C LIG 1 -1.188 -0.703 -0.861 0.00 0.00 +0.035 A ATOM 16 C LIG 1 -4.740 -0.645 0.271 0.00 0.00 +0.207 A ATOM 17 O LIG 1 -5.910 -1.389 0.405 0.00 0.00 -0.485 OA ATOM 18 C LIG 1 -6.089 -2.325 -0.651 0.00 0.00 +0.231 C ATOM 19 C LIG 1 -5.487 -3.680 -0.318 0.00 0.00 +0.063 C ENDROOT BRANCH 14 20 ATOM 20 N LIG 1 1.101 -0.408 -1.591 0.00 0.00 -0.313 N ATOM 21 H LIG 1 0.909 -1.175 -2.234 0.00 0.00 +0.152 HD BRANCH 20 22 ATOM 22 C LIG 1 2.453 -0.008 -1.496 0.00 0.00 +0.054 A ATOM 23 C LIG 1 3.361 -0.245 -2.543 0.00 0.00 +0.110 A ATOM 24 C LIG 1 4.662 0.215 -2.397 0.00 0.00 +0.149 A ATOM 25 CL LIG 1 5.882 -0.010 -3.593 0.00 0.00 -0.061 Cl ATOM 26 N LIG 1 5.126 0.881 -1.319 0.00 0.00 -0.229 NA ATOM 27 C LIG 1 4.249 1.106 -0.316 0.00 0.00 +0.129 A ATOM 28 C LIG 1 2.923 0.682 -0.370 0.00 0.00 +0.057 A BRANCH 27 29 ATOM 29 C LIG 1 4.719 1.856 0.895 0.00 0.00 +0.265 C ATOM 30 N LIG 1 6.044 2.220 0.987 0.00 0.00 -0.296 N ATOM 31 C LIG 1 7.246 1.670 0.380 0.00 0.00 +0.109 C ATOM 32 C LIG 1 8.032 2.483 1.414 0.00 0.00 +0.038 C ATOM 33 C LIG 1 6.730 2.652 2.199 0.00 0.00 +0.109 C ATOM 34 O LIG 1 3.906 2.144 1.774 0.00 0.00 -0.268 OA ENDBRANCH 27 29 BRANCH 23 35 ATOM 35 C LIG 1 2.961 -0.941 -3.725 0.00 0.00 +0.104 C ATOM 36 N LIG 1 2.590 -1.528 -4.654 0.00 0.00 -0.191 NA ENDBRANCH 23 35 ENDBRANCH 20 22 ENDBRANCH 14 20 TORSDOF 4