REMARK Name = BDB063379 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.615 -0.155 -0.330 0.00 0.00 +0.040 C ATOM 2 C LIG 1 -1.105 1.308 -0.166 0.00 0.00 +0.051 C ATOM 3 C LIG 1 -0.015 0.599 -0.990 0.00 0.00 +0.038 C ATOM 4 C LIG 1 -0.155 -0.615 -0.053 0.00 0.00 +0.051 C ATOM 5 C LIG 1 -1.193 -0.024 -1.810 0.00 0.00 +0.051 C ENDROOT BRANCH 1 7 ATOM 6 C LIG 1 -3.225 -1.995 -0.030 0.00 0.00 +0.254 C ATOM 7 N LIG 1 -2.819 -0.693 0.196 0.00 0.00 -0.307 N ATOM 8 H LIG 1 -3.393 -0.147 0.837 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 -2.576 -2.785 -0.710 0.00 0.00 -0.272 OA BRANCH 6 11 ATOM 10 C LIG 1 -4.694 -3.885 0.772 0.00 0.00 +0.061 C ATOM 11 C LIG 1 -4.543 -2.368 0.656 0.00 0.00 +0.234 C BRANCH 11 12 ATOM 12 C LIG 1 -5.664 -1.785 -0.212 0.00 0.00 +0.427 C ATOM 13 F LIG 1 -5.637 -2.267 -1.476 0.00 0.00 -0.167 F ATOM 14 F LIG 1 -6.884 -2.089 0.297 0.00 0.00 -0.167 F ATOM 15 F LIG 1 -5.597 -0.434 -0.291 0.00 0.00 -0.167 F ENDBRANCH 11 12 BRANCH 11 16 ATOM 16 O LIG 1 -4.539 -1.811 1.992 0.00 0.00 -0.373 OA ATOM 17 H LIG 1 -3.848 -2.277 2.498 0.00 0.00 +0.211 HD ENDBRANCH 11 16 ENDBRANCH 6 11 ENDBRANCH 1 7 BRANCH 3 18 ATOM 18 N LIG 1 1.100 1.112 -1.631 0.00 0.00 -0.334 N ATOM 19 H LIG 1 1.127 0.922 -2.634 0.00 0.00 +0.147 HD BRANCH 18 20 ATOM 20 C LIG 1 2.364 1.415 -1.109 0.00 0.00 +0.099 C ATOM 21 C LIG 1 2.535 1.651 0.375 0.00 0.00 +0.227 C ATOM 22 O LIG 1 1.577 1.680 1.142 0.00 0.00 -0.284 OA ATOM 23 C LIG 1 3.904 1.866 0.906 0.00 0.00 +0.123 A ATOM 24 C LIG 1 4.986 1.968 0.057 0.00 0.00 +0.052 A ATOM 25 C LIG 1 6.252 2.188 0.610 0.00 0.00 +0.015 A ATOM 26 C LIG 1 6.388 2.297 1.990 0.00 0.00 +0.020 A ATOM 27 C LIG 1 5.250 2.180 2.769 0.00 0.00 +0.111 A ATOM 28 C LIG 1 4.813 1.849 -1.389 0.00 0.00 +0.208 C ATOM 29 O LIG 1 5.780 1.997 -2.127 0.00 0.00 -0.286 OA ATOM 30 N LIG 1 4.018 1.969 2.260 0.00 0.00 -0.251 NA ATOM 31 C LIG 1 3.453 1.537 -1.892 0.00 0.00 +0.113 C ATOM 32 CL LIG 1 3.331 1.305 -3.614 0.00 0.00 -0.078 Cl ENDBRANCH 18 20 ENDBRANCH 3 18 TORSDOF 6