REMARK Name = BDB063366 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.083 -0.368 0.449 0.00 0.00 +0.099 C ATOM 2 C LIG 1 -2.088 0.724 0.744 0.00 0.00 +0.227 C ATOM 3 O LIG 1 -1.677 1.827 1.104 0.00 0.00 -0.284 OA ATOM 4 C LIG 1 -3.530 0.442 0.578 0.00 0.00 +0.123 A ATOM 5 C LIG 1 -3.951 -0.782 0.107 0.00 0.00 +0.052 A ATOM 6 C LIG 1 -5.325 -0.998 -0.043 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -6.219 0.018 0.285 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -5.706 1.216 0.750 0.00 0.00 +0.111 A ATOM 9 C LIG 1 -2.986 -1.828 -0.233 0.00 0.00 +0.208 C ATOM 10 O LIG 1 -3.397 -2.889 -0.691 0.00 0.00 -0.286 OA ATOM 11 N LIG 1 -4.386 1.451 0.901 0.00 0.00 -0.251 NA ATOM 12 C LIG 1 -1.541 -1.551 -0.003 0.00 0.00 +0.113 C ATOM 13 CL LIG 1 -0.495 -2.899 -0.324 0.00 0.00 -0.078 Cl ENDROOT BRANCH 1 14 ATOM 14 N LIG 1 0.232 0.030 0.719 0.00 0.00 -0.337 N ATOM 15 H LIG 1 0.251 1.000 1.063 0.00 0.00 +0.146 HD BRANCH 14 16 ATOM 16 C LIG 1 1.449 -0.389 0.022 0.00 0.00 +0.141 C BRANCH 16 17 ATOM 17 C LIG 1 2.557 0.672 0.153 0.00 0.00 +0.214 C ATOM 18 F LIG 1 2.918 0.772 1.466 0.00 0.00 -0.241 F BRANCH 17 20 ATOM 19 C LIG 1 4.444 -0.976 -0.350 0.00 0.00 +0.044 C ATOM 20 C LIG 1 3.816 0.377 -0.694 0.00 0.00 +0.093 C ATOM 21 C LIG 1 4.857 1.485 -0.486 0.00 0.00 +0.044 C BRANCH 20 22 ATOM 22 O LIG 1 3.469 0.343 -2.086 0.00 0.00 -0.386 OA ATOM 23 H LIG 1 3.375 1.258 -2.405 0.00 0.00 +0.210 HD ENDBRANCH 20 22 ENDBRANCH 17 20 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 1 14 TORSDOF 5