REMARK Name = BDB019640 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.409 1.228 -0.711 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.026 1.389 -0.895 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.820 0.279 -1.012 0.00 0.00 +0.038 A ATOM 4 C LIG 1 0.280 -1.013 -0.986 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.095 -1.205 -0.809 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.925 -0.079 -0.667 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.143 3.369 0.433 0.00 0.00 +0.130 A ATOM 8 C LIG 1 -2.301 2.398 -0.588 0.00 0.00 +0.024 A ATOM 9 C LIG 1 -3.350 2.560 -1.516 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -4.215 3.650 -1.441 0.00 0.00 +0.039 A ATOM 11 C LIG 1 -4.037 4.588 -0.437 0.00 0.00 +0.127 A ATOM 12 F LIG 1 -4.864 5.640 -0.364 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -3.014 4.462 0.497 0.00 0.00 +0.084 A BRANCH 7 15 ATOM 14 C LIG 1 -1.048 4.001 2.463 0.00 0.00 +0.277 C ATOM 15 O LIG 1 -1.109 3.163 1.316 0.00 0.00 -0.494 OA ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 16 ATOM 16 C LIG 1 2.292 0.427 -1.183 0.00 0.00 +0.244 C ATOM 17 N LIG 1 2.856 1.568 -0.654 0.00 0.00 -0.307 N ATOM 18 H LIG 1 2.311 2.127 -0.014 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 2.936 -0.458 -1.735 0.00 0.00 -0.270 OA BRANCH 17 20 ATOM 20 C LIG 1 4.289 1.756 -0.625 0.00 0.00 +0.139 C BRANCH 20 21 ATOM 21 C LIG 1 4.847 1.388 0.728 0.00 0.00 -0.030 A ATOM 22 C LIG 1 5.098 0.043 1.045 0.00 0.00 +0.010 A ATOM 23 C LIG 1 5.592 -0.330 2.305 0.00 0.00 -0.032 A ATOM 24 C LIG 1 5.844 -1.782 2.599 0.00 0.00 +0.045 C ATOM 25 C LIG 1 5.829 0.673 3.256 0.00 0.00 +0.044 A ATOM 26 CL LIG 1 6.432 0.302 4.832 0.00 0.00 -0.083 Cl ATOM 27 C LIG 1 5.577 2.014 2.952 0.00 0.00 +0.020 A ATOM 28 C LIG 1 5.085 2.370 1.696 0.00 0.00 +0.006 A ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 3 16 BRANCH 5 29 ATOM 29 C LIG 1 -1.683 -2.594 -0.775 0.00 0.00 +0.138 C BRANCH 29 30 ATOM 30 N LIG 1 -2.552 -2.781 -1.913 0.00 0.00 -0.329 N ATOM 31 H LIG 1 -2.208 -2.379 -2.781 0.00 0.00 +0.147 HD BRANCH 30 32 ATOM 32 C LIG 1 -3.283 -3.910 -2.134 0.00 0.00 +0.090 C ATOM 33 C LIG 1 -3.690 -4.845 -1.031 0.00 0.00 +0.073 C ATOM 34 C LIG 1 -4.811 -5.577 -1.727 0.00 0.00 +0.031 C ATOM 35 C LIG 1 -4.385 -5.521 -3.181 0.00 0.00 +0.143 C ATOM 36 N LIG 1 -3.652 -4.250 -3.333 0.00 0.00 -0.273 NA ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 8