REMARK Name = BDB025893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.668 -1.123 -0.530 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.869 0.050 -0.548 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.499 -0.014 -0.265 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.113 -1.241 0.029 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.318 -2.392 0.033 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.860 -3.593 0.286 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.049 -2.341 -0.240 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 2.556 -1.289 0.335 0.00 0.00 -0.038 C ATOM 9 C LIG 1 2.997 -1.933 1.628 0.00 0.00 +0.054 C ATOM 10 C LIG 1 4.509 -2.174 1.667 0.00 0.00 +0.114 C ATOM 11 N LIG 1 5.236 -1.028 1.130 0.00 0.00 -0.281 N ATOM 12 C LIG 1 6.582 -0.955 1.474 0.00 0.00 +0.305 C ATOM 13 N LIG 1 7.124 0.316 1.457 0.00 0.00 -0.285 N ATOM 14 C LIG 1 6.364 1.543 1.654 0.00 0.00 +0.109 C ATOM 15 C LIG 1 7.424 2.633 1.694 0.00 0.00 +0.020 C ATOM 16 C LIG 1 8.595 1.929 2.363 0.00 0.00 +0.020 C ATOM 17 C LIG 1 8.525 0.518 1.794 0.00 0.00 +0.109 C ATOM 18 O LIG 1 7.232 -1.946 1.802 0.00 0.00 -0.252 OA ATOM 19 C LIG 1 4.939 -0.762 -0.273 0.00 0.00 +0.137 C ATOM 20 C LIG 1 3.459 -0.774 -0.521 0.00 0.00 -0.004 C ENDBRANCH 4 8 BRANCH 1 28 ATOM 21 C LIG 1 -5.295 -1.839 2.252 0.00 0.00 +0.026 C ATOM 22 C LIG 1 -4.491 -2.112 0.976 0.00 0.00 +0.071 C ATOM 23 N LIG 1 -5.268 -2.863 -0.051 0.00 0.00 -0.297 NA ATOM 24 C LIG 1 -6.497 -2.180 -0.461 0.00 0.00 +0.105 C ATOM 25 C LIG 1 -4.354 -3.154 -1.191 0.00 0.00 +0.071 C ATOM 26 C LIG 1 -5.022 -3.966 -2.309 0.00 0.00 +0.026 C ATOM 27 C LIG 1 -3.647 -1.904 -1.790 0.00 0.00 +0.123 C ATOM 28 N LIG 1 -3.051 -0.997 -0.782 0.00 0.00 -0.325 N ATOM 29 C LIG 1 -3.858 -0.797 0.446 0.00 0.00 +0.123 C ENDBRANCH 1 28 BRANCH 2 30 ATOM 30 N LIG 1 -1.544 1.242 -0.890 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.530 1.075 -1.083 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.021 2.500 -1.052 0.00 0.00 +0.250 C ATOM 33 O LIG 1 0.145 2.852 -0.934 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.050 3.491 -1.472 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.085 4.011 -0.586 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -3.962 4.918 -1.061 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -3.884 5.383 -2.468 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -4.686 6.193 -2.913 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -2.866 4.847 -3.217 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -2.799 5.178 -4.173 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -1.963 3.930 -2.738 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.122 3.543 0.835 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -3.498 2.241 0.916 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -4.016 4.240 1.584 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -1.925 3.658 1.457 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 5