REMARK Name = BDB065131 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.704 -2.497 1.815 0.00 0.00 +0.008 C ATOM 2 C LIG 1 -2.262 -2.121 0.386 0.00 0.00 -0.005 C ATOM 3 C LIG 1 -1.514 -0.736 0.234 0.00 0.00 -0.025 C ATOM 4 C LIG 1 -0.523 -0.507 1.394 0.00 0.00 +0.012 C ATOM 5 C LIG 1 -0.778 -0.685 -1.186 0.00 0.00 +0.014 C ATOM 6 C LIG 1 0.103 -1.926 -1.550 0.00 0.00 +0.092 C ATOM 7 C LIG 1 0.561 -1.764 -3.011 0.00 0.00 +0.145 C ATOM 8 C LIG 1 1.217 -0.460 -3.400 0.00 0.00 +0.075 C ATOM 9 C LIG 1 0.355 0.716 -2.989 0.00 0.00 +0.008 C ATOM 10 O LIG 1 0.478 -2.685 -3.828 0.00 0.00 -0.297 OA ATOM 11 C LIG 1 -0.825 -3.163 -1.491 0.00 0.00 +0.132 C ATOM 12 C LIG 1 -0.083 0.658 -1.526 0.00 0.00 +0.005 C ATOM 13 C LIG 1 -1.459 -3.336 -0.118 0.00 0.00 +0.036 C ENDROOT BRANCH 11 14 ATOM 14 O LIG 1 -0.110 -4.367 -1.776 0.00 0.00 -0.391 OA ATOM 15 H LIG 1 0.158 -4.309 -2.719 0.00 0.00 +0.210 HD ENDBRANCH 11 14 BRANCH 3 16 ATOM 16 C LIG 1 -2.540 0.471 0.237 0.00 0.00 +0.011 C BRANCH 16 17 ATOM 17 C LIG 1 -3.598 0.566 1.341 0.00 0.00 +0.035 C BRANCH 17 18 ATOM 18 C LIG 1 -4.331 1.870 1.307 0.00 0.00 -0.026 C ATOM 19 C LIG 1 -5.239 2.245 0.200 0.00 0.00 +0.264 C ATOM 20 O LIG 1 -5.736 3.530 0.572 0.00 0.00 -0.457 OA ATOM 21 C LIG 1 -5.195 3.891 1.766 0.00 0.00 +0.332 C ATOM 22 O LIG 1 -5.407 4.930 2.364 0.00 0.00 -0.246 OA ATOM 23 C LIG 1 -4.306 2.828 2.232 0.00 0.00 +0.094 C ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 3 16 BRANCH 6 24 ATOM 24 C LIG 1 1.396 -2.199 -0.737 0.00 0.00 +0.249 C BRANCH 24 25 ATOM 25 O LIG 1 2.164 -1.010 -0.494 0.00 0.00 -0.460 OA BRANCH 25 26 ATOM 26 C LIG 1 3.168 -1.165 0.409 0.00 0.00 +0.339 C ATOM 27 O LIG 1 3.432 -2.191 1.014 0.00 0.00 -0.245 OA BRANCH 26 28 ATOM 28 C LIG 1 3.911 0.108 0.605 0.00 0.00 +0.059 A ATOM 29 C LIG 1 4.767 0.208 1.710 0.00 0.00 +0.015 A ATOM 30 C LIG 1 5.492 1.381 1.940 0.00 0.00 +0.013 A ATOM 31 C LIG 1 5.372 2.475 1.069 0.00 0.00 +0.055 A ATOM 32 C LIG 1 4.526 2.363 -0.046 0.00 0.00 +0.013 A ATOM 33 C LIG 1 3.800 1.190 -0.276 0.00 0.00 +0.015 A BRANCH 31 34 ATOM 34 C LIG 1 6.172 3.736 1.301 0.00 0.00 +0.417 C ATOM 35 F LIG 1 5.531 4.857 0.867 0.00 0.00 -0.166 F ATOM 36 F LIG 1 6.457 3.954 2.615 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.369 3.713 0.654 0.00 0.00 -0.166 F ENDBRANCH 31 34 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 9