REMARK Name = BDB032871 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.401 -0.479 0.258 0.00 0.00 +0.046 A ATOM 2 C LIG 1 -1.100 -1.030 0.363 0.00 0.00 +0.058 A ATOM 3 C LIG 1 -0.900 -2.237 1.058 0.00 0.00 +0.015 A ATOM 4 C LIG 1 -1.968 -2.873 1.688 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.239 -2.315 1.621 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -3.455 -1.131 0.908 0.00 0.00 +0.024 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -3.565 2.570 -1.652 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -3.761 1.415 -0.702 0.00 0.00 +0.214 C ATOM 9 N LIG 1 -2.598 0.698 -0.507 0.00 0.00 -0.285 N ATOM 10 H LIG 1 -1.775 1.009 -1.028 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -4.859 1.187 -0.207 0.00 0.00 -0.276 OA ENDBRANCH 1 9 BRANCH 2 12 ATOM 12 C LIG 1 0.071 -0.338 -0.267 0.00 0.00 +0.251 C ATOM 13 N LIG 1 1.259 -0.463 0.417 0.00 0.00 -0.261 N ATOM 14 H LIG 1 1.279 -0.893 1.331 0.00 0.00 +0.157 HD ATOM 15 O LIG 1 -0.121 0.317 -1.287 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 2.481 0.044 0.055 0.00 0.00 +0.166 A ATOM 17 S LIG 1 2.767 0.834 -1.427 0.00 0.00 -0.040 S ATOM 18 C LIG 1 4.387 1.041 -0.980 0.00 0.00 +0.102 A ATOM 19 CL LIG 1 5.479 1.840 -2.032 0.00 0.00 -0.074 Cl ATOM 20 C LIG 1 4.636 0.498 0.261 0.00 0.00 +0.066 A ATOM 21 C LIG 1 5.927 0.477 0.992 0.00 0.00 +0.068 C ATOM 22 N LIG 1 3.519 -0.083 0.851 0.00 0.00 -0.228 NA ENDBRANCH 13 16 ENDBRANCH 2 12 TORSDOF 3