REMARK Name = BDB050455 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.910 0.886 1.283 0.00 0.00 +0.064 A ATOM 2 C LIG 1 -0.911 0.225 2.532 0.00 0.00 +0.147 A ATOM 3 C LIG 1 -2.052 0.221 3.354 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -3.214 0.866 2.938 0.00 0.00 +0.008 A ATOM 5 C LIG 1 -3.259 1.502 1.693 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -2.099 1.518 0.890 0.00 0.00 +0.031 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 0.424 1.482 -0.785 0.00 0.00 +0.222 C ATOM 8 N LIG 1 0.257 0.920 0.470 0.00 0.00 -0.283 N ATOM 9 H LIG 1 1.084 0.493 0.889 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -0.464 1.994 -1.464 0.00 0.00 -0.275 OA BRANCH 7 14 ATOM 11 C LIG 1 4.561 -1.036 -1.615 0.00 0.00 +0.403 C ATOM 12 N LIG 1 3.744 0.030 -1.324 0.00 0.00 -0.267 N ATOM 13 C LIG 1 2.317 -0.013 -1.566 0.00 0.00 +0.124 C ATOM 14 C LIG 1 1.840 1.416 -1.334 0.00 0.00 +0.094 C ATOM 15 C LIG 1 2.911 2.022 -0.420 0.00 0.00 +0.033 C ATOM 16 C LIG 1 4.187 1.337 -0.876 0.00 0.00 +0.112 C ATOM 17 O LIG 1 4.146 -2.098 -2.059 0.00 0.00 -0.226 OA BRANCH 11 18 ATOM 18 O LIG 1 5.858 -0.751 -1.347 0.00 0.00 -0.445 OA BRANCH 18 20 ATOM 19 C LIG 1 7.061 -2.017 -3.071 0.00 0.00 +0.055 C ATOM 20 C LIG 1 6.902 -1.731 -1.575 0.00 0.00 +0.107 C ATOM 21 C LIG 1 6.668 -3.013 -0.769 0.00 0.00 +0.055 C ATOM 22 C LIG 1 8.184 -1.058 -1.059 0.00 0.00 +0.055 C ENDBRANCH 18 20 ENDBRANCH 11 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 2 23 ATOM 23 N LIG 1 0.273 -0.494 3.018 0.00 0.00 +0.058 N ATOM 24 O LIG 1 0.100 -1.389 3.858 0.00 0.00 -0.126 OA ATOM 25 O LIG 1 1.381 -0.175 2.548 0.00 0.00 -0.126 OA ENDBRANCH 2 23 BRANCH 5 26 ATOM 26 C LIG 1 -4.509 2.226 1.223 0.00 0.00 +0.162 C BRANCH 26 27 ATOM 27 N LIG 1 -5.734 1.436 1.353 0.00 0.00 -0.289 N ATOM 28 C LIG 1 -6.046 0.393 0.427 0.00 0.00 +0.059 A ATOM 29 C LIG 1 -7.219 -0.352 0.594 0.00 0.00 +0.063 A ATOM 30 C LIG 1 -7.560 -1.390 -0.283 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -6.724 -1.694 -1.352 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -5.557 -0.962 -1.540 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -8.114 -0.033 1.718 0.00 0.00 +0.262 A ATOM 34 O LIG 1 -9.149 -0.658 1.924 0.00 0.00 -0.267 OA ATOM 35 N LIG 1 -7.723 1.003 2.518 0.00 0.00 -0.274 N ATOM 36 H LIG 1 -8.317 1.232 3.299 0.00 0.00 +0.173 HD ATOM 37 C LIG 1 -5.221 0.073 -0.660 0.00 0.00 +0.027 A ATOM 38 C LIG 1 -6.574 1.732 2.415 0.00 0.00 +0.330 A ATOM 39 O LIG 1 -6.339 2.593 3.263 0.00 0.00 -0.246 OA ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 7