REMARK Name = BDB025925 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.052 -0.845 0.362 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.929 0.548 0.148 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.326 1.162 0.160 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.484 0.404 0.384 0.00 0.00 +0.015 A ATOM 5 C LIG 1 1.347 -0.977 0.591 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.429 -1.746 0.796 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.101 -1.600 0.580 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 2.808 1.054 0.381 0.00 0.00 -0.038 C ATOM 9 C LIG 1 3.185 1.932 -0.812 0.00 0.00 +0.058 C ATOM 10 C LIG 1 4.561 2.621 -0.607 0.00 0.00 +0.084 C ATOM 11 N LIG 1 5.452 1.655 0.008 0.00 0.00 -0.258 N ATOM 12 C LIG 1 5.048 1.549 1.394 0.00 0.00 +0.103 C ATOM 13 C LIG 1 4.899 3.021 1.784 0.00 0.00 +0.028 C ATOM 14 C LIG 1 6.082 0.674 -0.716 0.00 0.00 +0.404 C ATOM 15 O LIG 1 6.144 0.676 -1.938 0.00 0.00 -0.226 OA ATOM 16 C LIG 1 4.487 3.720 0.470 0.00 0.00 +0.025 C ATOM 17 C LIG 1 3.681 0.887 1.400 0.00 0.00 -0.000 C BRANCH 14 18 ATOM 18 O LIG 1 6.617 -0.277 0.090 0.00 0.00 -0.445 OA BRANCH 18 19 ATOM 19 C LIG 1 7.277 -1.440 -0.467 0.00 0.00 +0.107 C ATOM 20 C LIG 1 8.529 -1.048 -1.259 0.00 0.00 +0.055 C ATOM 21 C LIG 1 7.710 -2.263 0.757 0.00 0.00 +0.055 C ATOM 22 C LIG 1 6.307 -2.283 -1.302 0.00 0.00 +0.055 C ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 4 8 BRANCH 1 30 ATOM 23 C LIG 1 -4.246 -3.869 -1.859 0.00 0.00 +0.026 C ATOM 24 C LIG 1 -4.084 -2.630 -0.966 0.00 0.00 +0.071 C ATOM 25 N LIG 1 -4.833 -2.665 0.311 0.00 0.00 -0.297 NA ATOM 26 C LIG 1 -6.125 -3.325 0.285 0.00 0.00 +0.105 C ATOM 27 C LIG 1 -4.015 -2.930 1.506 0.00 0.00 +0.071 C ATOM 28 C LIG 1 -3.557 -4.391 1.633 0.00 0.00 +0.026 C ATOM 29 C LIG 1 -2.796 -1.955 1.633 0.00 0.00 +0.123 C ATOM 30 N LIG 1 -2.349 -1.409 0.330 0.00 0.00 -0.325 N ATOM 31 C LIG 1 -2.562 -2.322 -0.807 0.00 0.00 +0.123 C ENDBRANCH 1 30 BRANCH 2 32 ATOM 32 N LIG 1 -2.145 1.225 -0.077 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -2.938 0.582 -0.056 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 -2.351 2.561 -0.301 0.00 0.00 +0.250 C ATOM 35 O LIG 1 -1.518 3.458 -0.306 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -3.792 2.881 -0.505 0.00 0.00 +0.065 A ATOM 37 C LIG 1 -4.550 2.481 -1.679 0.00 0.00 +0.073 A ATOM 38 C LIG 1 -5.851 2.819 -1.759 0.00 0.00 +0.083 A ATOM 39 C LIG 1 -6.521 3.587 -0.676 0.00 0.00 +0.252 A ATOM 40 O LIG 1 -7.713 3.853 -0.789 0.00 0.00 -0.268 OA ATOM 41 N LIG 1 -5.714 3.949 0.398 0.00 0.00 -0.318 N ATOM 42 C LIG 1 -6.285 4.722 1.491 0.00 0.00 +0.152 C ATOM 43 C LIG 1 -4.375 3.598 0.467 0.00 0.00 +0.102 A BRANCH 37 44 ATOM 44 C LIG 1 -3.854 1.743 -2.780 0.00 0.00 +0.418 C ATOM 45 F LIG 1 -3.520 0.482 -2.408 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -4.634 1.615 -3.887 0.00 0.00 -0.166 F ATOM 47 F LIG 1 -2.717 2.360 -3.184 0.00 0.00 -0.166 F ENDBRANCH 37 44 ENDBRANCH 34 36 ENDBRANCH 2 32 TORSDOF 7