REMARK Name = BDB040371 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.481 1.187 -1.258 0.00 0.00 -0.028 A ATOM 2 C LIG 1 0.923 0.093 -2.003 0.00 0.00 +0.025 A ATOM 3 C LIG 1 2.207 -0.448 -1.813 0.00 0.00 +0.047 A ATOM 4 CL LIG 1 2.557 -1.830 -2.791 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 3.102 0.096 -0.869 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.619 1.183 -0.100 0.00 0.00 +0.047 A ATOM 7 CL LIG 1 3.556 1.923 1.160 0.00 0.00 -0.083 Cl ATOM 8 C LIG 1 1.337 1.716 -0.293 0.00 0.00 +0.025 A ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 4.520 -0.421 -0.616 0.00 0.00 +0.108 C ATOM 10 C LIG 1 5.296 -0.885 -1.840 0.00 0.00 +0.227 C ATOM 11 O LIG 1 5.524 -0.146 -2.797 0.00 0.00 -0.275 OA ATOM 12 N LIG 1 5.731 -2.189 -1.849 0.00 0.00 -0.256 N ATOM 13 H LIG 1 6.234 -2.471 -2.679 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 5.275 -3.221 -1.069 0.00 0.00 +0.219 C ATOM 15 O LIG 1 5.542 -4.388 -1.345 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 4.369 -2.854 0.080 0.00 0.00 +0.097 C ATOM 17 C LIG 1 4.611 -1.428 0.538 0.00 0.00 +0.027 C ENDBRANCH 5 9 BRANCH 1 18 ATOM 18 C LIG 1 -0.904 1.748 -1.445 0.00 0.00 +0.139 C BRANCH 18 20 ATOM 19 C LIG 1 -2.155 1.690 0.684 0.00 0.00 +0.223 C ATOM 20 N LIG 1 -1.831 1.121 -0.530 0.00 0.00 -0.310 N ATOM 21 H LIG 1 -2.170 0.198 -0.765 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -1.729 2.791 1.026 0.00 0.00 -0.275 OA BRANCH 19 24 ATOM 23 C LIG 1 -3.387 1.607 2.887 0.00 0.00 +0.026 C ATOM 24 C LIG 1 -3.097 0.842 1.577 0.00 0.00 +0.069 C ATOM 25 C LIG 1 -2.329 -0.444 1.953 0.00 0.00 +0.026 C BRANCH 24 26 ATOM 26 C LIG 1 -4.422 0.591 0.867 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -5.043 -0.642 0.778 0.00 0.00 +0.121 A ATOM 28 N LIG 1 -6.208 -0.861 0.140 0.00 0.00 -0.210 NA ATOM 29 C LIG 1 -6.785 0.213 -0.419 0.00 0.00 +0.309 A ATOM 30 F LIG 1 -7.945 0.022 -1.063 0.00 0.00 -0.161 F ATOM 31 N LIG 1 -6.294 1.459 -0.395 0.00 0.00 -0.210 NA ATOM 32 C LIG 1 -5.125 1.619 0.255 0.00 0.00 +0.121 A ENDBRANCH 24 26 ENDBRANCH 19 24 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 5