REMARK Name = BDB006552 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.181 -1.543 -3.264 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.229 -0.529 -2.252 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.424 -0.258 -1.010 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.288 0.757 -0.367 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.095 1.246 0.895 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.230 0.700 1.505 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.968 -0.303 0.874 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.347 1.094 -1.194 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.564 -0.796 -0.374 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.313 0.331 -2.347 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.321 0.461 -3.439 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.180 -0.896 1.504 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.907 -0.057 2.323 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.738 0.935 2.243 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.496 -2.055 1.259 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.214 -0.444 2.836 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -5.313 -0.069 4.316 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.296 0.160 1.954 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -6.667 -0.524 0.778 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -7.634 -0.033 -0.120 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -8.225 1.198 0.208 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -7.868 1.903 1.359 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -6.904 1.390 2.225 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 -8.043 -0.754 -1.392 0.00 0.00 +0.019 C ATOM 25 C LIG 1 -8.067 -2.261 -1.472 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -7.024 -1.490 -2.229 0.00 0.00 +0.009 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 2.324 2.146 -0.906 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 3.675 1.606 -0.497 0.00 0.00 -0.028 A ATOM 29 C LIG 1 4.836 2.091 -1.114 0.00 0.00 +0.006 A ATOM 30 C LIG 1 6.096 1.619 -0.735 0.00 0.00 +0.009 A ATOM 31 C LIG 1 6.231 0.655 0.275 0.00 0.00 -0.017 A ATOM 32 C LIG 1 5.069 0.186 0.904 0.00 0.00 +0.009 A ATOM 33 C LIG 1 3.808 0.657 0.526 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 7.558 0.160 0.672 0.00 0.00 -0.004 A ATOM 35 C LIG 1 8.368 -0.631 -0.165 0.00 0.00 +0.067 A ATOM 36 C LIG 1 9.662 -1.009 0.227 0.00 0.00 +0.015 A ATOM 37 C LIG 1 10.152 -0.632 1.475 0.00 0.00 +0.001 A ATOM 38 C LIG 1 9.357 0.128 2.329 0.00 0.00 +0.001 A ATOM 39 C LIG 1 8.076 0.523 1.930 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 7.921 -1.095 -1.492 0.00 0.00 +0.337 C ATOM 41 O LIG 1 8.536 -0.969 -2.534 0.00 0.00 -0.245 OA BRANCH 40 42 ATOM 42 O LIG 1 6.766 -1.776 -1.414 0.00 0.00 -0.477 OA ATOM 43 H LIG 1 6.569 -2.043 -2.334 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 9