REMARK Name = BDB053324 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.121 -0.257 -0.793 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 0.066 -1.173 -1.092 0.00 0.00 -0.492 OA BRANCH 2 4 ATOM 3 C LIG 1 -2.221 -1.713 -1.182 0.00 0.00 -0.005 A ATOM 4 C LIG 1 -1.225 -0.718 -1.127 0.00 0.00 +0.124 A ATOM 5 C LIG 1 -1.600 0.628 -1.133 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -2.950 0.992 -1.171 0.00 0.00 +0.011 A ATOM 7 C LIG 1 -3.942 0.013 -1.206 0.00 0.00 -0.025 A ATOM 8 C LIG 1 -3.575 -1.335 -1.213 0.00 0.00 +0.015 A BRANCH 7 9 ATOM 9 C LIG 1 -5.352 0.402 -1.236 0.00 0.00 +0.007 C ATOM 10 C LIG 1 -6.185 0.370 -0.179 0.00 0.00 -0.069 C ATOM 11 C LIG 1 -5.803 -0.051 1.223 0.00 0.00 +0.031 C ATOM 12 C LIG 1 -6.155 1.042 2.234 0.00 0.00 +0.004 C ATOM 13 C LIG 1 -7.619 1.469 2.124 0.00 0.00 +0.001 C ATOM 14 C LIG 1 -7.975 1.887 0.698 0.00 0.00 +0.004 C ATOM 15 C LIG 1 -7.630 0.795 -0.315 0.00 0.00 +0.031 C ENDBRANCH 7 9 BRANCH 3 16 ATOM 16 C LIG 1 -1.872 -3.185 -1.170 0.00 0.00 +0.038 C BRANCH 16 18 ATOM 17 C LIG 1 -1.330 -5.190 0.256 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -1.672 -3.708 0.253 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 3 16 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 1.708 0.309 -2.084 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 2.789 1.349 -1.815 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 3.842 0.739 -1.071 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 4.897 1.533 -0.715 0.00 0.00 +0.121 A ATOM 23 C LIG 1 5.875 0.891 0.055 0.00 0.00 +0.054 A ATOM 24 C LIG 1 7.019 1.569 0.504 0.00 0.00 -0.003 A ATOM 25 C LIG 1 7.163 2.920 0.157 0.00 0.00 +0.009 A ATOM 26 C LIG 1 6.194 3.567 -0.613 0.00 0.00 +0.004 A ATOM 27 C LIG 1 5.063 2.875 -1.049 0.00 0.00 +0.045 A BRANCH 24 28 ATOM 28 C LIG 1 8.022 0.875 1.319 0.00 0.00 +0.084 A ATOM 29 C LIG 1 8.535 -0.356 1.157 0.00 0.00 +0.208 A ATOM 30 N LIG 1 9.449 -0.714 2.099 0.00 0.00 -0.287 N ATOM 31 H LIG 1 9.934 -1.595 2.141 0.00 0.00 +0.172 HD ATOM 32 C LIG 1 9.703 0.228 3.067 0.00 0.00 +0.291 A ATOM 33 O LIG 1 10.479 0.117 4.000 0.00 0.00 -0.260 OA ATOM 34 S LIG 1 8.707 1.646 2.732 0.00 0.00 -0.023 S BRANCH 29 35 ATOM 35 O LIG 1 8.238 -1.238 0.167 0.00 0.00 -0.493 OA ATOM 36 H LIG 1 8.796 -2.020 0.289 0.00 0.00 +0.294 HD ENDBRANCH 29 35 ENDBRANCH 24 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11