REMARK Name = BDB025034 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.810 0.060 -0.183 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.605 -0.660 -0.283 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.774 -2.125 -0.324 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.185 -2.668 1.055 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.553 -2.860 -0.871 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.321 -2.479 -0.080 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.152 -0.986 -0.099 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.855 -0.433 0.008 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.342 -1.082 0.171 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.272 -0.150 0.188 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.704 1.106 0.073 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.659 0.938 -0.070 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.721 1.815 -0.275 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.008 1.260 -0.359 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.266 -0.115 -0.227 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.911 -0.437 -0.418 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.435 2.373 0.069 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -1.529 2.954 -1.347 0.00 0.00 +0.105 C ATOM 19 C LIG 1 -1.991 4.393 -1.268 0.00 0.00 +0.274 C ATOM 20 F LIG 1 -3.248 4.409 -0.747 0.00 0.00 -0.203 F ATOM 21 F LIG 1 -2.081 4.919 -2.512 0.00 0.00 -0.203 F ATOM 22 C LIG 1 -1.073 5.247 -0.391 0.00 0.00 +0.235 C ATOM 23 O LIG 1 -0.213 4.471 0.462 0.00 0.00 -0.372 OA ATOM 24 C LIG 1 -0.912 3.396 1.099 0.00 0.00 +0.185 C ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 6.921 2.037 0.434 0.00 0.00 +0.282 C ATOM 26 O LIG 1 5.686 1.337 0.273 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.745 -0.410 0.302 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.100 -1.904 0.180 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -4.560 -2.148 0.544 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -4.879 -2.936 1.660 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -6.210 -3.161 2.014 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.239 -2.603 1.257 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.937 -1.821 0.145 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.606 -1.594 -0.212 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -2.769 -2.486 -1.184 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -2.505 -3.656 -1.421 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -2.872 -1.612 -2.209 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -2.624 -2.162 -2.983 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 7