REMARK Name = BDB014203 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.073 0.137 -0.149 0.00 0.00 +0.086 A ATOM 2 C LIG 1 0.270 -0.188 0.066 0.00 0.00 +0.081 A ATOM 3 C LIG 1 1.262 0.789 0.001 0.00 0.00 +0.107 A ATOM 4 C LIG 1 2.502 0.148 0.262 0.00 0.00 +0.084 A ATOM 5 C LIG 1 2.247 -1.188 0.478 0.00 0.00 +0.105 A ATOM 6 CL LIG 1 4.024 0.903 0.299 0.00 0.00 -0.080 Cl ATOM 7 N LIG 1 0.990 2.091 -0.269 0.00 0.00 -0.252 NA ATOM 8 C LIG 1 -0.310 2.383 -0.473 0.00 0.00 +0.112 A ATOM 9 N LIG 1 0.896 -1.379 0.357 0.00 0.00 -0.357 N ATOM 10 H LIG 1 0.403 -2.260 0.461 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 -1.354 1.475 -0.427 0.00 0.00 +0.037 A ENDROOT BRANCH 1 13 ATOM 12 O LIG 1 -3.351 -0.593 -0.279 0.00 0.00 -0.245 OA ATOM 13 C LIG 1 -2.175 -0.842 -0.097 0.00 0.00 +0.339 C BRANCH 13 14 ATOM 14 O LIG 1 -1.760 -2.093 0.181 0.00 0.00 -0.477 OA ATOM 15 H LIG 1 -2.598 -2.607 0.178 0.00 0.00 +0.295 HD ENDBRANCH 13 14 ENDBRANCH 1 13 TORSDOF 2