REMARK Name = BDB025619 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.359 -0.904 -0.488 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.761 0.371 -0.357 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.632 0.505 -0.343 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.474 -0.619 -0.446 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.855 -1.874 -0.565 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.601 -2.987 -0.648 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.531 -2.024 -0.585 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.397 -3.557 1.905 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.005 -2.944 0.554 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.090 -2.922 -0.466 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.440 -2.738 0.060 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.823 -1.918 -1.525 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.325 -1.603 -1.722 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.774 -0.990 -0.488 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.319 -1.565 0.774 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.937 -0.477 -0.425 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.610 0.389 0.413 0.00 0.00 +0.124 A ATOM 18 N LIG 1 4.954 0.542 0.449 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.693 -0.200 -0.390 0.00 0.00 +0.218 A ATOM 20 N LIG 1 5.139 -1.070 -1.246 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 3.791 -1.189 -1.243 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 7.064 -0.037 -0.389 0.00 0.00 -0.295 N ATOM 23 C LIG 1 7.642 0.724 0.721 0.00 0.00 +0.136 C ATOM 24 C LIG 1 9.171 0.767 0.571 0.00 0.00 +0.179 C ATOM 25 O LIG 1 9.788 -0.531 0.572 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 8.930 -1.571 0.077 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.904 -1.092 -0.963 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.661 1.451 -0.246 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.631 1.137 -0.277 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.376 2.785 -0.108 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.274 3.317 -0.086 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.605 3.623 -0.019 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -3.499 3.632 1.133 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -4.582 4.436 1.118 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -4.867 5.300 -0.055 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -5.857 6.018 -0.085 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -3.956 5.234 -1.079 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -4.139 5.840 -1.872 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -2.848 4.424 -1.068 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -3.166 2.775 2.314 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -1.895 2.948 2.747 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.321 1.457 2.027 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.975 3.026 3.377 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6