REMARK Name = BDB051876 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.028 2.077 1.841 0.00 0.00 -0.287 OA ATOM 2 C LIG 1 -0.516 1.240 1.110 0.00 0.00 +0.194 A ATOM 3 C LIG 1 -1.273 0.231 0.319 0.00 0.00 +0.072 A ATOM 4 C LIG 1 -0.507 -0.656 -0.448 0.00 0.00 +0.140 A ATOM 5 C LIG 1 -1.117 -1.642 -1.218 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -2.503 -1.750 -1.232 0.00 0.00 +0.012 A ATOM 7 C LIG 1 -3.300 -0.877 -0.479 0.00 0.00 -0.017 A ATOM 8 C LIG 1 -4.697 -1.022 -0.523 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -5.532 -0.181 0.206 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -4.978 0.818 0.990 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -3.590 0.974 1.044 0.00 0.00 +0.009 A ATOM 12 O LIG 1 0.864 -0.638 -0.510 0.00 0.00 -0.454 OA ATOM 13 C LIG 1 1.548 0.312 0.220 0.00 0.00 +0.145 A ATOM 14 C LIG 1 -2.701 0.138 0.317 0.00 0.00 -0.004 A ATOM 15 C LIG 1 0.953 1.219 1.002 0.00 0.00 +0.098 A ENDROOT BRANCH 13 16 ATOM 16 C LIG 1 3.013 0.238 0.086 0.00 0.00 +0.088 A ATOM 17 C LIG 1 3.681 -0.988 0.190 0.00 0.00 +0.137 A ATOM 18 F LIG 1 2.998 -2.115 0.444 0.00 0.00 -0.205 F ATOM 19 C LIG 1 5.067 -1.082 0.053 0.00 0.00 +0.039 A ATOM 20 C LIG 1 5.821 0.063 -0.198 0.00 0.00 +0.006 A ATOM 21 C LIG 1 5.179 1.294 -0.311 0.00 0.00 +0.039 A ATOM 22 C LIG 1 3.792 1.372 -0.172 0.00 0.00 +0.137 A ATOM 23 F LIG 1 3.215 2.577 -0.302 0.00 0.00 -0.205 F ENDBRANCH 13 16 TORSDOF 1