REMARK Name = BDB002862 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.075 2.116 0.598 0.00 0.00 -0.269 OA ATOM 2 C LIG 1 0.402 1.334 -0.289 0.00 0.00 +0.264 C ATOM 3 N LIG 1 -0.461 0.362 -0.781 0.00 0.00 -0.232 N ATOM 4 H LIG 1 -0.339 -0.001 -1.724 0.00 0.00 +0.173 HD ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 1.743 1.399 -0.918 0.00 0.00 +0.091 A ATOM 6 C LIG 1 2.900 1.671 -0.177 0.00 0.00 +0.056 A ATOM 7 CL LIG 1 2.912 1.840 1.543 0.00 0.00 -0.083 Cl ATOM 8 C LIG 1 4.142 1.762 -0.823 0.00 0.00 +0.021 A ATOM 9 C LIG 1 4.240 1.581 -2.204 0.00 0.00 +0.004 A ATOM 10 C LIG 1 3.096 1.301 -2.942 0.00 0.00 +0.039 A ATOM 11 C LIG 1 1.863 1.212 -2.298 0.00 0.00 +0.137 A ATOM 12 F LIG 1 0.783 0.936 -3.047 0.00 0.00 -0.205 F ENDBRANCH 2 5 BRANCH 3 13 ATOM 13 N LIG 1 -1.802 0.448 -0.347 0.00 0.00 -0.263 N ATOM 14 H LIG 1 -1.935 1.295 0.231 0.00 0.00 +0.170 HD BRANCH 13 15 ATOM 15 C LIG 1 -2.222 -0.688 0.406 0.00 0.00 +0.064 A ATOM 16 C LIG 1 -3.181 -0.546 1.432 0.00 0.00 +0.063 A ATOM 17 CL LIG 1 -3.783 1.016 1.871 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 -3.662 -1.656 2.133 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -3.212 -2.934 1.802 0.00 0.00 +0.021 A ATOM 20 C LIG 1 -2.295 -3.094 0.767 0.00 0.00 +0.043 A ATOM 21 CL LIG 1 -1.760 -4.673 0.340 0.00 0.00 -0.083 Cl ATOM 22 C LIG 1 -1.813 -1.987 0.064 0.00 0.00 +0.046 A ENDBRANCH 13 15 ENDBRANCH 3 13 TORSDOF 3