REMARK Name = BDB061340 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.471 1.434 2.424 0.00 0.00 +0.087 A ATOM 2 C LIG 1 4.471 2.414 1.428 0.00 0.00 +0.045 A ATOM 3 C LIG 1 3.313 2.688 0.675 0.00 0.00 +0.098 A ATOM 4 C LIG 1 2.131 1.981 0.950 0.00 0.00 +0.132 A ATOM 5 C LIG 1 2.120 1.025 1.970 0.00 0.00 +0.048 A ATOM 6 C LIG 1 3.281 0.761 2.704 0.00 0.00 +0.033 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 3.350 3.730 -0.413 0.00 0.00 +0.421 C ATOM 8 F LIG 1 3.043 3.234 -1.645 0.00 0.00 -0.166 F ATOM 9 F LIG 1 2.497 4.769 -0.194 0.00 0.00 -0.166 F ATOM 10 F LIG 1 4.582 4.304 -0.558 0.00 0.00 -0.166 F ENDBRANCH 3 7 BRANCH 1 12 ATOM 11 N LIG 1 6.483 0.347 2.796 0.00 0.00 -0.149 NA ATOM 12 N LIG 1 5.627 1.185 3.186 0.00 0.00 -0.149 NA BRANCH 11 17 ATOM 13 C LIG 1 5.814 -2.618 -2.055 0.00 0.00 +0.044 C ATOM 14 C LIG 1 5.964 -1.828 -0.789 0.00 0.00 -0.050 A ATOM 15 C LIG 1 6.668 -0.619 -0.788 0.00 0.00 +0.005 A ATOM 16 C LIG 1 6.834 0.101 0.398 0.00 0.00 +0.030 A ATOM 17 C LIG 1 6.290 -0.368 1.598 0.00 0.00 +0.086 A ATOM 18 C LIG 1 5.625 -1.599 1.603 0.00 0.00 +0.030 A ATOM 19 C LIG 1 5.458 -2.322 0.419 0.00 0.00 +0.005 A ENDBRANCH 11 17 ENDBRANCH 1 12 BRANCH 4 20 ATOM 20 O LIG 1 1.051 2.307 0.176 0.00 0.00 -0.491 OA BRANCH 20 21 ATOM 21 C LIG 1 -0.163 1.580 0.380 0.00 0.00 +0.233 C BRANCH 21 22 ATOM 22 C LIG 1 -1.196 2.099 -0.619 0.00 0.00 +0.076 C BRANCH 22 23 ATOM 23 C LIG 1 -2.510 1.374 -0.499 0.00 0.00 -0.044 A ATOM 24 C LIG 1 -2.775 0.241 -1.276 0.00 0.00 +0.007 A ATOM 25 C LIG 1 -3.988 -0.450 -1.151 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -4.952 -0.023 -0.245 0.00 0.00 +0.122 A ATOM 27 C LIG 1 -4.683 1.106 0.536 0.00 0.00 +0.046 A ATOM 28 C LIG 1 -3.477 1.800 0.415 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 O LIG 1 -6.168 -0.575 0.002 0.00 0.00 -0.475 OA BRANCH 29 30 ATOM 30 C LIG 1 -6.738 -1.692 -0.697 0.00 0.00 +0.200 C ATOM 31 C LIG 1 -5.983 -2.995 -0.415 0.00 0.00 +0.067 C ATOM 32 C LIG 1 -6.962 -1.402 -2.185 0.00 0.00 +0.067 C BRANCH 30 33 ATOM 33 C LIG 1 -8.136 -1.839 -0.055 0.00 0.00 +0.348 C ATOM 34 O LIG 1 -8.630 -1.157 0.830 0.00 0.00 -0.247 OA BRANCH 33 35 ATOM 35 O LIG 1 -8.863 -2.860 -0.566 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 -9.702 -2.812 -0.061 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 4 20 TORSDOF 11