REMARK Name = BDB034332 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.637 0.281 -0.185 0.00 0.00 -0.016 A ATOM 2 C LIG 1 4.143 -0.385 -1.319 0.00 0.00 +0.037 A ATOM 3 C LIG 1 2.928 -1.060 -1.329 0.00 0.00 +0.073 A ATOM 4 C LIG 1 2.148 -1.101 -0.151 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.914 -1.818 -0.185 0.00 0.00 +0.038 A ATOM 6 C LIG 1 0.513 -2.362 -1.405 0.00 0.00 +0.043 A ATOM 7 C LIG 1 1.352 -2.257 -2.499 0.00 0.00 +0.113 A ATOM 8 C LIG 1 2.632 -0.419 0.989 0.00 0.00 +0.012 A ATOM 9 N LIG 1 2.546 -1.637 -2.477 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 3.855 0.257 0.972 0.00 0.00 +0.009 A ENDROOT BRANCH 1 14 ATOM 11 C LIG 1 8.414 2.353 -0.299 0.00 0.00 +0.055 A ATOM 12 C LIG 1 7.253 3.006 0.137 0.00 0.00 +0.013 A ATOM 13 C LIG 1 6.028 2.332 0.173 0.00 0.00 +0.009 A ATOM 14 C LIG 1 5.927 0.988 -0.221 0.00 0.00 -0.018 A ATOM 15 C LIG 1 7.096 0.340 -0.650 0.00 0.00 +0.009 A ATOM 16 C LIG 1 8.324 1.010 -0.686 0.00 0.00 +0.013 A BRANCH 11 18 ATOM 17 F LIG 1 10.292 3.174 0.922 0.00 0.00 -0.166 F ATOM 18 C LIG 1 9.735 3.082 -0.317 0.00 0.00 +0.417 C ATOM 19 F LIG 1 10.673 2.485 -1.105 0.00 0.00 -0.166 F ATOM 20 F LIG 1 9.628 4.361 -0.774 0.00 0.00 -0.166 F ENDBRANCH 11 18 ENDBRANCH 1 14 BRANCH 5 21 ATOM 21 N LIG 1 0.109 -1.875 0.968 0.00 0.00 -0.343 N ATOM 22 H LIG 1 0.687 -2.031 1.792 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 -1.134 -2.637 1.026 0.00 0.00 +0.103 C BRANCH 23 24 ATOM 24 C LIG 1 -2.323 -1.834 0.490 0.00 0.00 +0.034 C BRANCH 24 25 ATOM 25 C LIG 1 -2.631 -0.610 1.360 0.00 0.00 +0.083 C BRANCH 25 26 ATOM 26 N LIG 1 -3.762 0.184 0.875 0.00 0.00 -0.312 NA ATOM 27 H LIG 1 -3.667 0.348 -0.127 0.00 0.00 +0.122 HD BRANCH 26 28 ATOM 28 C LIG 1 -5.061 -0.441 1.136 0.00 0.00 +0.120 C BRANCH 28 29 ATOM 29 C LIG 1 -6.199 0.442 0.694 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -7.260 -0.050 -0.050 0.00 0.00 +0.171 A ATOM 31 O LIG 1 -7.407 -1.331 -0.493 0.00 0.00 -0.452 OA ATOM 32 C LIG 1 -8.665 -1.241 -1.192 0.00 0.00 +0.466 C ATOM 33 O LIG 1 -9.252 0.073 -1.152 0.00 0.00 -0.453 OA ATOM 34 C LIG 1 -8.318 0.748 -0.428 0.00 0.00 +0.167 A ATOM 35 C LIG 1 -8.389 2.081 -0.086 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -7.343 2.611 0.670 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -6.263 1.799 1.061 0.00 0.00 +0.009 A ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 5 21 TORSDOF 9