REMARK Name = BDB038928 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.909 -1.763 -0.406 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.566 -2.037 -0.217 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.588 -0.958 -0.105 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.207 -1.398 0.309 0.00 0.00 +0.001 A ATOM 5 C LIG 1 1.891 -2.758 0.537 0.00 0.00 -0.039 A ATOM 6 C LIG 1 0.604 -3.138 0.943 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.417 -2.198 1.109 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.099 -0.859 0.858 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.832 0.308 0.898 0.00 0.00 -0.326 N ATOM 10 C LIG 1 0.006 1.355 0.568 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.217 0.906 0.299 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 2.969 -3.804 0.396 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.173 -0.454 0.471 0.00 0.00 +0.094 A ATOM 14 C LIG 1 4.061 -3.354 -0.570 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.749 -2.608 -0.694 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.393 2.805 0.515 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.242 3.361 -0.915 0.00 0.00 +0.011 C ATOM 18 C LIG 1 0.017 4.870 -0.961 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -0.600 5.591 0.228 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -0.030 5.090 1.556 0.00 0.00 +0.001 C ATOM 21 C LIG 1 0.427 3.630 1.515 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 7.577 -0.118 -0.418 0.00 0.00 +0.282 C ATOM 23 O LIG 1 6.200 -0.443 -0.237 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.245 0.402 1.238 0.00 0.00 +0.143 C BRANCH 24 25 ATOM 25 C LIG 1 -3.152 0.537 0.003 0.00 0.00 +0.151 C BRANCH 25 26 ATOM 26 C LIG 1 -3.174 -0.724 -0.856 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -3.817 -1.909 -0.439 0.00 0.00 +0.124 A ATOM 28 C LIG 1 -3.790 -3.042 -1.262 0.00 0.00 +0.049 A ATOM 29 C LIG 1 -3.128 -3.007 -2.491 0.00 0.00 +0.042 A ATOM 30 C LIG 1 -2.492 -1.843 -2.895 0.00 0.00 +0.124 A ATOM 31 F LIG 1 -1.856 -1.812 -4.073 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -2.507 -0.708 -2.095 0.00 0.00 +0.046 A BRANCH 27 33 ATOM 33 O LIG 1 -4.420 -1.858 0.788 0.00 0.00 -0.495 OA ATOM 34 C LIG 1 -5.132 -3.011 1.223 0.00 0.00 +0.277 C ENDBRANCH 27 33 ENDBRANCH 25 26 BRANCH 25 35 ATOM 35 C LIG 1 -4.532 0.991 0.437 0.00 0.00 +0.314 C ATOM 36 O LIG 1 -4.880 1.294 1.568 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -5.397 1.126 -0.590 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -6.234 1.415 -0.169 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 25 35 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 8