REMARK Name = BDB013833 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.230 -1.035 0.093 0.00 0.00 -0.338 N ATOM 2 H LIG 1 -1.854 -1.794 0.392 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -3.232 0.360 0.415 0.00 0.00 +0.082 A ATOM 4 C LIG 1 -1.952 0.148 -0.141 0.00 0.00 +0.060 A ATOM 5 C LIG 1 -1.413 1.250 -0.809 0.00 0.00 +0.134 A ATOM 6 N LIG 1 -2.037 2.439 -1.006 0.00 0.00 -0.261 NA ATOM 7 C LIG 1 -3.264 2.577 -0.476 0.00 0.00 +0.111 A ATOM 8 C LIG 1 -3.897 1.582 0.239 0.00 0.00 +0.036 A BRANCH 3 10 ATOM 9 O LIG 1 -3.577 -1.905 1.176 0.00 0.00 -0.245 OA ATOM 10 C LIG 1 -3.912 -0.733 1.159 0.00 0.00 +0.339 C BRANCH 10 11 ATOM 11 O LIG 1 -4.987 -0.312 1.851 0.00 0.00 -0.477 OA ATOM 12 H LIG 1 -5.316 -1.120 2.298 0.00 0.00 +0.295 HD ENDBRANCH 10 11 ENDBRANCH 3 10 ENDBRANCH 1 4 BRANCH 1 13 ATOM 13 C LIG 1 -0.243 -1.503 -0.877 0.00 0.00 +0.137 C BRANCH 13 14 ATOM 14 C LIG 1 1.144 -0.969 -0.596 0.00 0.00 -0.030 A ATOM 15 C LIG 1 1.625 -0.838 0.715 0.00 0.00 +0.006 A ATOM 16 C LIG 1 2.920 -0.372 0.958 0.00 0.00 +0.013 A ATOM 17 C LIG 1 3.771 -0.045 -0.106 0.00 0.00 +0.055 A ATOM 18 C LIG 1 3.295 -0.182 -1.418 0.00 0.00 +0.013 A ATOM 19 C LIG 1 1.999 -0.647 -1.660 0.00 0.00 +0.006 A BRANCH 17 20 ATOM 20 C LIG 1 5.161 0.479 0.155 0.00 0.00 +0.417 C ATOM 21 F LIG 1 5.701 0.015 1.317 0.00 0.00 -0.166 F ATOM 22 F LIG 1 6.049 0.146 -0.824 0.00 0.00 -0.166 F ATOM 23 F LIG 1 5.197 1.837 0.243 0.00 0.00 -0.166 F ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 1 13 TORSDOF 6