REMARK Name = BDB031130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.093 -1.137 -0.133 0.00 0.00 +0.120 A ATOM 2 N LIG 1 0.116 -0.560 -0.006 0.00 0.00 -0.231 NA ATOM 3 C LIG 1 0.733 -0.623 1.197 0.00 0.00 +0.091 A ATOM 4 C LIG 1 0.174 -1.253 2.300 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -1.063 -1.866 2.150 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -1.702 -1.811 0.915 0.00 0.00 +0.043 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 2.015 0.062 1.274 0.00 0.00 +0.091 A ATOM 8 N LIG 1 2.982 0.102 0.279 0.00 0.00 -0.298 N ATOM 9 C LIG 1 4.034 0.876 0.776 0.00 0.00 +0.139 A ATOM 10 C LIG 1 5.164 1.080 -0.067 0.00 0.00 +0.066 A ATOM 11 C LIG 1 5.197 0.517 -1.288 0.00 0.00 +0.046 A ATOM 12 C LIG 1 4.100 -0.304 -1.774 0.00 0.00 +0.038 A ATOM 13 CL LIG 1 6.554 0.744 -2.327 0.00 0.00 -0.083 Cl ATOM 14 N LIG 1 3.797 1.296 1.999 0.00 0.00 -0.235 NA ATOM 15 C LIG 1 3.026 -0.492 -0.987 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.561 0.799 2.311 0.00 0.00 +0.141 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 17 N LIG 1 -1.670 -1.032 -1.396 0.00 0.00 -0.322 N ATOM 18 H LIG 1 -0.892 -0.675 -1.958 0.00 0.00 +0.148 HD BRANCH 17 21 ATOM 19 F LIG 1 -2.460 2.203 -2.145 0.00 0.00 -0.242 F ATOM 20 C LIG 1 -2.507 1.354 -1.082 0.00 0.00 +0.201 C ATOM 21 C LIG 1 -2.791 -0.072 -1.577 0.00 0.00 +0.120 C ATOM 22 C LIG 1 -4.105 -0.466 -0.889 0.00 0.00 +0.106 C ATOM 23 N LIG 1 -4.254 0.423 0.279 0.00 0.00 -0.311 NA ATOM 24 H LIG 1 -3.654 0.075 1.028 0.00 0.00 +0.122 HD ATOM 25 C LIG 1 -3.700 1.702 -0.198 0.00 0.00 +0.119 C ENDBRANCH 17 21 ENDBRANCH 1 17 TORSDOF 3