REMARK Name = BDB016869 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.591 0.729 0.104 0.00 0.00 -0.236 N ATOM 2 C LIG 1 0.651 -0.407 0.406 0.00 0.00 +0.162 C ATOM 3 C LIG 1 -0.643 0.260 0.199 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -0.515 1.539 -0.228 0.00 0.00 +0.150 A ATOM 5 N LIG 1 -1.719 2.117 -0.421 0.00 0.00 -0.223 NA ATOM 6 C LIG 1 -2.607 1.182 -0.096 0.00 0.00 +0.138 A ATOM 7 N LIG 1 -1.977 0.003 0.314 0.00 0.00 -0.323 N ATOM 8 C LIG 1 0.878 1.895 -0.333 0.00 0.00 +0.273 C ATOM 9 O LIG 1 1.299 2.973 -0.719 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 18 ATOM 10 C LIG 1 5.526 -1.785 1.744 0.00 0.00 +0.048 C ATOM 11 C LIG 1 4.899 -0.569 1.115 0.00 0.00 -0.001 A ATOM 12 C LIG 1 5.662 0.555 0.703 0.00 0.00 +0.181 A ATOM 13 N LIG 1 4.996 1.625 0.151 0.00 0.00 -0.195 N ATOM 14 C LIG 1 5.971 2.549 -0.138 0.00 0.00 +0.152 A ATOM 15 N LIG 1 7.147 2.068 0.215 0.00 0.00 -0.132 NA ATOM 16 C LIG 1 5.679 3.861 -0.750 0.00 0.00 +0.090 C ATOM 17 N LIG 1 3.662 1.744 -0.067 0.00 0.00 -0.148 NA ATOM 18 C LIG 1 2.963 0.716 0.297 0.00 0.00 +0.150 A ATOM 19 N LIG 1 6.952 0.812 0.745 0.00 0.00 -0.128 NA ATOM 20 C LIG 1 3.565 -0.505 0.928 0.00 0.00 +0.053 A ENDBRANCH 1 18 BRANCH 2 21 ATOM 21 C LIG 1 0.849 -1.599 -0.519 0.00 0.00 -0.021 A ATOM 22 C LIG 1 0.868 -2.902 0.012 0.00 0.00 +0.007 A ATOM 23 C LIG 1 1.040 -4.011 -0.821 0.00 0.00 +0.020 A ATOM 24 C LIG 1 1.191 -3.831 -2.193 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 1.399 -5.197 -3.216 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 1.170 -2.551 -2.740 0.00 0.00 +0.020 A ATOM 27 C LIG 1 0.998 -1.441 -1.909 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 6 28 ATOM 28 C LIG 1 -4.024 1.313 -0.162 0.00 0.00 -0.005 C ATOM 29 C LIG 1 -4.908 1.694 1.003 0.00 0.00 +0.066 C ATOM 30 C LIG 1 -6.207 2.336 0.524 0.00 0.00 +0.165 C ATOM 31 O LIG 1 -6.811 1.494 -0.460 0.00 0.00 -0.375 OA ATOM 32 C LIG 1 -6.034 1.457 -1.660 0.00 0.00 +0.187 C ATOM 33 C LIG 1 -4.574 1.245 -1.393 0.00 0.00 +0.008 C ENDBRANCH 6 28 BRANCH 7 34 ATOM 34 C LIG 1 -2.536 -1.256 0.796 0.00 0.00 +0.083 C ATOM 35 C LIG 1 -2.847 -1.201 2.291 0.00 0.00 +0.030 C ATOM 36 C LIG 1 -3.702 -1.817 -0.017 0.00 0.00 +0.030 C ENDBRANCH 7 34 TORSDOF 4