REMARK Name = BDB039157 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.681 -1.833 -0.314 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.347 -2.067 -0.031 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.378 -0.974 -0.019 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.016 -1.343 0.509 0.00 0.00 +0.001 A ATOM 5 C LIG 1 1.708 -2.658 0.931 0.00 0.00 -0.039 A ATOM 6 C LIG 1 0.441 -2.967 1.445 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.569 -2.004 1.526 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.263 -0.714 1.076 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -1.003 0.452 0.967 0.00 0.00 -0.326 N ATOM 10 C LIG 1 -0.151 1.448 0.532 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.038 0.949 0.254 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 2.775 -3.723 0.881 0.00 0.00 +0.054 C ATOM 13 C LIG 1 0.993 -0.377 0.591 0.00 0.00 +0.094 A ATOM 14 C LIG 1 3.822 -3.414 -0.184 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.504 -2.716 -0.524 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.486 2.908 0.398 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.441 3.344 -1.080 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -0.163 4.838 -1.270 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -0.626 5.665 -0.079 0.00 0.00 +0.000 C ATOM 20 C LIG 1 0.078 5.244 1.212 0.00 0.00 +0.001 C ATOM 21 C LIG 1 0.469 3.764 1.241 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 7.352 -0.219 -0.619 0.00 0.00 +0.282 C ATOM 23 O LIG 1 5.983 -0.505 -0.334 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.409 0.563 1.325 0.00 0.00 +0.143 C BRANCH 24 25 ATOM 25 C LIG 1 -3.438 0.309 0.200 0.00 0.00 +0.151 C BRANCH 25 26 ATOM 26 C LIG 1 -3.150 -0.942 -0.630 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -3.701 -2.191 -0.267 0.00 0.00 +0.124 A ATOM 28 C LIG 1 -3.407 -3.333 -1.024 0.00 0.00 +0.049 A ATOM 29 C LIG 1 -2.561 -3.248 -2.130 0.00 0.00 +0.042 A ATOM 30 C LIG 1 -2.005 -2.027 -2.476 0.00 0.00 +0.124 A ATOM 31 F LIG 1 -1.187 -1.950 -3.534 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -2.285 -0.882 -1.740 0.00 0.00 +0.046 A BRANCH 27 33 ATOM 33 O LIG 1 -4.486 -2.192 0.858 0.00 0.00 -0.495 OA ATOM 34 C LIG 1 -5.122 -3.414 1.214 0.00 0.00 +0.277 C ENDBRANCH 27 33 ENDBRANCH 25 26 BRANCH 25 35 ATOM 35 C LIG 1 -3.748 1.572 -0.581 0.00 0.00 +0.314 C ATOM 36 O LIG 1 -3.682 2.712 -0.147 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -4.239 1.372 -1.819 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -4.439 2.269 -2.160 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 25 35 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 8