REMARK Name = BDB002150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.645 -0.181 0.232 0.00 0.00 +0.227 A ATOM 2 C LIG 1 -1.456 -0.876 1.414 0.00 0.00 +0.201 A ATOM 3 N LIG 1 -0.115 -1.042 1.679 0.00 0.00 -0.196 NA ATOM 4 C LIG 1 0.480 -0.452 0.663 0.00 0.00 +0.232 A ATOM 5 O LIG 1 -0.388 0.084 -0.253 0.00 0.00 -0.420 OA ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 1.902 -0.296 0.358 0.00 0.00 +0.055 A ATOM 7 C LIG 1 2.893 -0.234 1.352 0.00 0.00 +0.053 A ATOM 8 CL LIG 1 2.538 -0.269 3.046 0.00 0.00 -0.083 Cl ATOM 9 C LIG 1 4.245 -0.102 1.002 0.00 0.00 +0.021 A ATOM 10 C LIG 1 4.627 -0.028 -0.336 0.00 0.00 +0.001 A ATOM 11 C LIG 1 3.660 -0.084 -1.333 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.312 -0.216 -0.989 0.00 0.00 +0.014 A ENDBRANCH 4 6 BRANCH 1 14 ATOM 13 C LIG 1 -4.038 0.272 0.068 0.00 0.00 +0.132 C ATOM 14 N LIG 1 -2.701 0.256 -0.515 0.00 0.00 -0.305 N ATOM 15 C LIG 1 -2.448 1.249 -1.556 0.00 0.00 +0.132 C ENDBRANCH 1 14 BRANCH 2 16 ATOM 16 C LIG 1 -2.442 -1.388 2.306 0.00 0.00 +0.124 C ATOM 17 N LIG 1 -3.270 -1.786 3.018 0.00 0.00 -0.189 NA ENDBRANCH 2 16 TORSDOF 3