REMARK Name = BDB047788 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.584 0.534 0.209 0.00 0.00 +0.083 A ATOM 2 N LIG 1 -1.536 1.235 -0.442 0.00 0.00 -0.229 NA ATOM 3 C LIG 1 -2.761 0.681 -0.525 0.00 0.00 +0.161 A ATOM 4 N LIG 1 -3.092 -0.507 0.011 0.00 0.00 -0.227 NA ATOM 5 C LIG 1 -2.128 -1.194 0.660 0.00 0.00 +0.075 A ATOM 6 C LIG 1 -0.846 -0.693 0.791 0.00 0.00 +0.055 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.812 1.432 -1.243 0.00 0.00 +0.019 A ATOM 8 C LIG 1 -5.114 0.916 -1.390 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -6.114 1.624 -2.068 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -5.845 2.882 -2.621 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.553 3.407 -2.494 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -3.558 2.693 -1.814 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 C LIG 1 -6.914 3.637 -3.372 0.00 0.00 +0.417 C ATOM 14 F LIG 1 -6.939 3.321 -4.696 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -6.755 4.989 -3.313 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -8.170 3.392 -2.904 0.00 0.00 -0.166 F ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 5 17 ATOM 17 C LIG 1 -2.542 -2.496 1.224 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -3.852 -2.688 1.700 0.00 0.00 +0.010 A ATOM 19 C LIG 1 -4.265 -3.911 2.240 0.00 0.00 +0.013 A ATOM 20 C LIG 1 -3.378 -4.992 2.311 0.00 0.00 +0.055 A ATOM 21 C LIG 1 -2.070 -4.817 1.842 0.00 0.00 +0.013 A ATOM 22 C LIG 1 -1.662 -3.591 1.303 0.00 0.00 +0.010 A BRANCH 20 23 ATOM 23 C LIG 1 -3.811 -6.306 2.912 0.00 0.00 +0.417 C ATOM 24 F LIG 1 -3.550 -6.376 4.246 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -5.146 -6.545 2.779 0.00 0.00 -0.166 F ATOM 26 F LIG 1 -3.185 -7.380 2.353 0.00 0.00 -0.166 F ENDBRANCH 20 23 ENDBRANCH 5 17 BRANCH 1 27 ATOM 27 C LIG 1 0.782 1.171 0.334 0.00 0.00 +0.284 C BRANCH 27 28 ATOM 28 O LIG 1 1.795 0.193 0.083 0.00 0.00 -0.486 OA BRANCH 28 34 ATOM 29 C LIG 1 5.350 3.579 0.919 0.00 0.00 +0.047 C ATOM 30 C LIG 1 4.905 2.184 0.566 0.00 0.00 -0.005 A ATOM 31 C LIG 1 5.851 1.179 0.293 0.00 0.00 +0.124 A ATOM 32 C LIG 1 5.408 -0.100 -0.044 0.00 0.00 +0.049 A ATOM 33 C LIG 1 4.039 -0.380 -0.101 0.00 0.00 +0.049 A ATOM 34 C LIG 1 3.094 0.607 0.173 0.00 0.00 +0.122 A ATOM 35 C LIG 1 3.530 1.889 0.504 0.00 0.00 +0.052 A BRANCH 31 36 ATOM 36 O LIG 1 7.162 1.566 0.381 0.00 0.00 -0.481 OA BRANCH 36 37 ATOM 37 C LIG 1 8.178 0.590 0.211 0.00 0.00 +0.349 C BRANCH 37 38 ATOM 38 C LIG 1 8.508 0.249 -1.234 0.00 0.00 +0.343 C ATOM 39 O LIG 1 8.044 0.741 -2.249 0.00 0.00 -0.247 OA BRANCH 38 40 ATOM 40 O LIG 1 9.441 -0.725 -1.324 0.00 0.00 -0.478 OA ATOM 41 H LIG 1 9.569 -0.834 -2.291 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 31 36 ENDBRANCH 28 34 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 11