REMARK Name = BDB062910 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.085 0.839 0.241 0.00 0.00 +0.039 A ATOM 2 C LIG 1 -0.383 -0.470 -0.199 0.00 0.00 +0.082 A ATOM 3 C LIG 1 0.653 -1.389 -0.427 0.00 0.00 +0.055 A ATOM 4 C LIG 1 1.973 -1.002 -0.240 0.00 0.00 +0.124 A ATOM 5 F LIG 1 2.956 -1.885 -0.457 0.00 0.00 -0.205 F ATOM 6 C LIG 1 2.289 0.289 0.155 0.00 0.00 +0.040 A ATOM 7 C LIG 1 1.264 1.210 0.375 0.00 0.00 +0.026 A ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 -1.055 1.854 0.333 0.00 0.00 -0.357 N ATOM 9 H LIG 1 -0.833 2.590 0.996 0.00 0.00 +0.142 HD ATOM 10 H LIG 1 -1.992 1.467 0.482 0.00 0.00 +0.142 HD ENDBRANCH 1 8 BRANCH 2 11 ATOM 11 C LIG 1 -1.761 -0.974 -0.434 0.00 0.00 +0.339 C ATOM 12 O LIG 1 -2.047 -1.991 -1.040 0.00 0.00 -0.245 OA BRANCH 11 13 ATOM 13 O LIG 1 -2.726 -0.230 0.144 0.00 0.00 -0.477 OA ATOM 14 H LIG 1 -3.547 -0.713 -0.092 0.00 0.00 +0.295 HD ENDBRANCH 11 13 ENDBRANCH 2 11 TORSDOF 3