REMARK Name = BDB018176 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.889 -0.824 -0.572 0.00 0.00 +0.003 A ATOM 2 C LIG 1 1.625 -0.266 -0.318 0.00 0.00 +0.033 A ATOM 3 C LIG 1 0.456 -0.813 -0.866 0.00 0.00 +0.034 A ATOM 4 C LIG 1 0.557 -1.942 -1.676 0.00 0.00 +0.023 A ATOM 5 C LIG 1 1.805 -2.513 -1.935 0.00 0.00 +0.002 A ATOM 6 C LIG 1 2.964 -1.960 -1.387 0.00 0.00 +0.010 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.367 2.119 2.533 0.00 0.00 +0.073 C ATOM 8 C LIG 1 5.135 1.134 1.443 0.00 0.00 +0.076 A ATOM 9 S LIG 1 6.466 0.470 0.587 0.00 0.00 -0.080 S ATOM 10 C LIG 1 5.376 -0.452 -0.365 0.00 0.00 +0.075 A ATOM 11 C LIG 1 4.073 -0.209 0.027 0.00 0.00 +0.078 A ATOM 12 N LIG 1 3.949 0.712 1.062 0.00 0.00 -0.244 NA ENDBRANCH 1 11 BRANCH 3 13 ATOM 13 N LIG 1 -0.760 -0.179 -0.544 0.00 0.00 -0.283 N ATOM 14 H LIG 1 -0.692 0.648 0.044 0.00 0.00 +0.155 HD ATOM 15 C LIG 1 -2.031 -0.484 -1.011 0.00 0.00 +0.256 C ATOM 16 O LIG 1 -2.318 -1.366 -1.813 0.00 0.00 -0.272 OA BRANCH 15 17 ATOM 17 C LIG 1 -3.092 0.381 -0.338 0.00 0.00 +0.204 C ATOM 18 C LIG 1 -4.398 0.465 -1.126 0.00 0.00 +0.166 C ATOM 19 N LIG 1 -5.476 0.633 -0.093 0.00 0.00 -0.266 N ATOM 20 C LIG 1 -4.848 0.508 1.247 0.00 0.00 +0.120 C ATOM 21 C LIG 1 -3.528 -0.204 0.995 0.00 0.00 +0.071 C ATOM 22 F LIG 1 -2.620 1.646 -0.097 0.00 0.00 -0.230 F BRANCH 19 23 ATOM 23 C LIG 1 -6.637 1.260 -0.322 0.00 0.00 +0.169 C ATOM 24 N LIG 1 -7.636 1.810 -0.516 0.00 0.00 -0.174 NA ENDBRANCH 19 23 ENDBRANCH 15 17 ENDBRANCH 3 13 TORSDOF 4