REMARK Name = BDB063368 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.814 -0.052 -0.062 0.00 0.00 +0.099 C ATOM 2 C LIG 1 -1.925 -0.932 -0.578 0.00 0.00 +0.227 C ATOM 3 O LIG 1 -1.634 -1.894 -1.287 0.00 0.00 -0.284 OA ATOM 4 C LIG 1 -3.323 -0.609 -0.219 0.00 0.00 +0.125 A ATOM 5 C LIG 1 -3.601 0.472 0.594 0.00 0.00 +0.052 A ATOM 6 C LIG 1 -4.938 0.741 0.905 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -5.939 -0.082 0.391 0.00 0.00 +0.041 A ATOM 8 C LIG 1 -5.557 -1.141 -0.414 0.00 0.00 +0.130 A ATOM 9 CL LIG 1 -6.721 -2.201 -1.087 0.00 0.00 -0.062 Cl ATOM 10 C LIG 1 -2.525 1.316 1.120 0.00 0.00 +0.208 C ATOM 11 O LIG 1 -2.811 2.264 1.842 0.00 0.00 -0.286 OA ATOM 12 N LIG 1 -4.280 -1.426 -0.732 0.00 0.00 -0.231 NA ATOM 13 C LIG 1 -1.126 0.976 0.747 0.00 0.00 +0.113 C ATOM 14 CL LIG 1 0.096 1.967 1.482 0.00 0.00 -0.078 Cl ENDROOT BRANCH 1 15 ATOM 15 N LIG 1 0.469 -0.469 -0.470 0.00 0.00 -0.337 N ATOM 16 H LIG 1 0.349 -1.375 -0.954 0.00 0.00 +0.146 HD BRANCH 15 17 ATOM 17 C LIG 1 1.342 0.389 -1.284 0.00 0.00 +0.141 C BRANCH 17 18 ATOM 18 C LIG 1 2.793 -0.107 -1.311 0.00 0.00 +0.214 C ATOM 19 F LIG 1 3.396 0.530 -2.366 0.00 0.00 -0.241 F BRANCH 18 21 ATOM 20 C LIG 1 5.107 -0.090 -0.317 0.00 0.00 +0.044 C ATOM 21 C LIG 1 3.622 0.166 -0.028 0.00 0.00 +0.093 C ATOM 22 C LIG 1 3.189 -0.718 1.148 0.00 0.00 +0.044 C BRANCH 21 23 ATOM 23 O LIG 1 3.518 1.538 0.380 0.00 0.00 -0.386 OA ATOM 24 H LIG 1 2.690 1.653 0.881 0.00 0.00 +0.210 HD ENDBRANCH 21 23 ENDBRANCH 18 21 ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 1 15 TORSDOF 5