REMARK Name = BDB026012 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.602 -0.518 -0.493 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.864 0.624 -0.084 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.463 0.632 -0.131 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.259 -0.476 -0.608 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -0.488 -1.576 -1.049 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.134 -2.670 -1.518 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.883 -1.599 -1.004 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -3.816 -2.963 1.757 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.009 -2.075 1.372 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.909 -2.639 0.337 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.396 -3.977 0.652 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.289 -2.594 -1.000 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -4.826 -1.177 -1.404 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -3.999 -0.516 -0.376 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -4.543 -0.636 1.001 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 1.729 -0.466 -0.652 0.00 0.00 +0.021 A ATOM 17 C LIG 1 2.473 -0.980 -1.694 0.00 0.00 +0.124 A ATOM 18 N LIG 1 3.825 -0.977 -1.755 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 4.503 -0.440 -0.728 0.00 0.00 +0.218 A ATOM 20 N LIG 1 3.872 0.088 0.334 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 2.520 0.064 0.347 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 5.904 -0.395 -0.783 0.00 0.00 -0.299 N ATOM 23 C LIG 1 6.482 -1.431 -1.645 0.00 0.00 +0.111 C ATOM 24 C LIG 1 7.976 -1.177 -1.840 0.00 0.00 +0.053 C ATOM 25 C LIG 1 8.713 -1.042 -0.504 0.00 0.00 +0.066 C ATOM 26 C LIG 1 10.180 -0.673 -0.743 0.00 0.00 +0.041 C ATOM 27 C LIG 1 8.029 0.009 0.376 0.00 0.00 +0.053 C ATOM 28 C LIG 1 6.532 -0.261 0.532 0.00 0.00 +0.111 C BRANCH 25 29 ATOM 29 O LIG 1 8.690 -2.311 0.159 0.00 0.00 -0.389 OA ATOM 30 H LIG 1 9.220 -2.237 0.972 0.00 0.00 +0.210 HD ENDBRANCH 25 29 ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 31 ATOM 31 N LIG 1 -2.630 1.753 0.288 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.623 1.611 0.115 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -2.191 2.949 0.798 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -1.048 3.238 1.130 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.297 3.928 1.015 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -4.134 4.476 -0.049 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -5.093 5.370 0.264 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -5.303 5.798 1.669 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -6.183 6.596 1.964 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -4.453 5.244 2.592 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -4.580 5.553 3.550 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -3.468 4.340 2.282 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -3.880 4.060 -1.465 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -2.575 4.159 -1.811 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -4.261 2.774 -1.672 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -4.576 4.812 -2.357 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 7