REMARK Name = BDB018205 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.887 -0.711 0.913 0.00 0.00 +0.021 A ATOM 2 C LIG 1 0.091 -0.908 -0.040 0.00 0.00 +0.117 A ATOM 3 N LIG 1 1.152 -1.479 0.610 0.00 0.00 -0.267 N ATOM 4 N LIG 1 0.918 -1.696 1.921 0.00 0.00 -0.179 NA ATOM 5 C LIG 1 -0.317 -1.220 2.102 0.00 0.00 +0.143 A ENDROOT BRANCH 1 12 ATOM 6 C LIG 1 -4.704 0.254 -1.971 0.00 0.00 +0.152 C ATOM 7 N LIG 1 -4.083 0.384 -0.663 0.00 0.00 -0.318 N ATOM 8 C LIG 1 -4.766 1.050 0.350 0.00 0.00 +0.251 A ATOM 9 O LIG 1 -5.878 1.558 0.240 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 -4.058 1.133 1.652 0.00 0.00 +0.071 A ATOM 11 C LIG 1 -2.848 0.580 1.803 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -2.179 -0.120 0.714 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -2.830 -0.179 -0.466 0.00 0.00 +0.097 A ENDBRANCH 1 12 BRANCH 3 14 ATOM 14 C LIG 1 2.420 -1.885 0.018 0.00 0.00 +0.178 C BRANCH 14 15 ATOM 15 C LIG 1 3.317 -0.700 -0.250 0.00 0.00 -0.026 A ATOM 16 C LIG 1 3.624 -0.318 -1.566 0.00 0.00 +0.008 A ATOM 17 C LIG 1 4.455 0.778 -1.806 0.00 0.00 +0.038 A ATOM 18 C LIG 1 4.980 1.491 -0.735 0.00 0.00 +0.123 A ATOM 19 F LIG 1 5.776 2.542 -0.970 0.00 0.00 -0.205 F ATOM 20 C LIG 1 4.691 1.130 0.574 0.00 0.00 +0.038 A ATOM 21 C LIG 1 3.861 0.035 0.818 0.00 0.00 +0.008 A ENDBRANCH 14 15 ENDBRANCH 3 14 TORSDOF 3