REMARK Name = BDB013839 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.476 0.032 -1.216 0.00 0.00 -0.338 N ATOM 2 H LIG 1 -0.973 0.213 -2.099 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.717 0.084 -0.232 0.00 0.00 +0.082 A ATOM 4 C LIG 1 -1.381 -0.361 -0.219 0.00 0.00 +0.060 A ATOM 5 C LIG 1 -1.024 -1.073 0.926 0.00 0.00 +0.134 A ATOM 6 N LIG 1 -1.867 -1.416 1.935 0.00 0.00 -0.261 NA ATOM 7 C LIG 1 -3.147 -1.018 1.833 0.00 0.00 +0.111 A ATOM 8 C LIG 1 -3.620 -0.265 0.780 0.00 0.00 +0.036 A BRANCH 3 10 ATOM 9 O LIG 1 -2.962 0.618 -2.532 0.00 0.00 -0.245 OA ATOM 10 C LIG 1 -3.211 0.891 -1.369 0.00 0.00 +0.339 C BRANCH 10 11 ATOM 11 O LIG 1 -3.930 1.966 -0.985 0.00 0.00 -0.477 OA ATOM 12 H LIG 1 -3.866 2.174 -0.033 0.00 0.00 +0.295 HD ENDBRANCH 10 11 ENDBRANCH 3 10 ENDBRANCH 1 4 BRANCH 1 13 ATOM 13 C LIG 1 0.754 -0.719 -1.453 0.00 0.00 +0.137 C BRANCH 13 14 ATOM 14 C LIG 1 1.892 -0.231 -0.583 0.00 0.00 -0.029 A ATOM 15 C LIG 1 2.089 1.140 -0.343 0.00 0.00 +0.026 A ATOM 16 C LIG 1 3.158 1.586 0.442 0.00 0.00 +0.060 A ATOM 17 CL LIG 1 3.313 3.288 0.695 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 4.053 0.662 0.986 0.00 0.00 +0.059 A ATOM 19 CL LIG 1 5.397 1.135 1.963 0.00 0.00 -0.082 Cl ATOM 20 C LIG 1 3.878 -0.702 0.739 0.00 0.00 +0.022 A ATOM 21 C LIG 1 2.809 -1.145 -0.045 0.00 0.00 +0.007 A ENDBRANCH 13 14 ENDBRANCH 1 13 TORSDOF 5