REMARK Name = BDB051694 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.374 -1.788 -1.049 0.00 0.00 +0.057 C ATOM 2 C LIG 1 -1.327 -0.444 -0.317 0.00 0.00 +0.203 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -2.719 0.186 -0.259 0.00 0.00 +0.032 A ATOM 4 C LIG 1 -3.314 0.835 -1.368 0.00 0.00 +0.084 A ATOM 5 CL LIG 1 -2.551 0.945 -2.921 0.00 0.00 -0.080 Cl ATOM 6 C LIG 1 -4.589 1.409 -1.260 0.00 0.00 +0.142 A ATOM 7 F LIG 1 -5.152 2.028 -2.309 0.00 0.00 -0.204 F ATOM 8 C LIG 1 -5.310 1.348 -0.076 0.00 0.00 +0.041 A ATOM 9 C LIG 1 -4.760 0.694 1.018 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -3.485 0.114 0.929 0.00 0.00 +0.049 A ATOM 11 CL LIG 1 -2.934 -0.711 2.349 0.00 0.00 -0.083 Cl ENDBRANCH 2 3 BRANCH 2 12 ATOM 12 O LIG 1 -0.424 0.465 -0.956 0.00 0.00 -0.484 OA BRANCH 12 13 ATOM 13 C LIG 1 0.915 0.403 -0.708 0.00 0.00 +0.122 A ATOM 14 C LIG 1 1.571 -0.490 0.136 0.00 0.00 +0.055 A ATOM 15 C LIG 1 2.972 -0.429 0.293 0.00 0.00 +0.004 A ATOM 16 C LIG 1 3.730 0.536 -0.404 0.00 0.00 +0.071 A ATOM 17 N LIG 1 5.066 0.628 -0.284 0.00 0.00 -0.255 NA ATOM 18 C LIG 1 5.691 -0.242 0.538 0.00 0.00 +0.111 A ATOM 19 C LIG 1 5.039 -1.222 1.262 0.00 0.00 +0.020 A ATOM 20 C LIG 1 3.057 1.412 -1.239 0.00 0.00 +0.032 A ATOM 21 C LIG 1 3.658 -1.315 1.136 0.00 0.00 +0.011 A ATOM 22 C LIG 1 1.669 1.353 -1.395 0.00 0.00 +0.048 A ENDBRANCH 12 13 ENDBRANCH 2 12 TORSDOF 3