REMARK Name = BDB022637 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.431 1.035 -1.244 0.00 0.00 +0.140 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 3.058 -0.457 -1.684 0.00 0.00 +0.034 A ATOM 3 C LIG 1 1.959 0.252 -1.185 0.00 0.00 +0.028 A ATOM 4 C LIG 1 0.721 0.264 -1.858 0.00 0.00 -0.026 A ATOM 5 C LIG 1 0.579 -0.480 -3.046 0.00 0.00 -0.046 A ATOM 6 C LIG 1 -0.719 -0.531 -3.805 0.00 0.00 +0.044 C ATOM 7 C LIG 1 1.687 -1.183 -3.542 0.00 0.00 +0.005 A ATOM 8 C LIG 1 2.913 -1.171 -2.869 0.00 0.00 +0.023 A BRANCH 2 10 ATOM 9 C LIG 1 5.465 -0.997 -1.218 0.00 0.00 +0.238 C ATOM 10 N LIG 1 4.249 -0.400 -0.939 0.00 0.00 -0.284 N ATOM 11 H LIG 1 4.232 0.165 -0.096 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 5.723 -1.696 -2.194 0.00 0.00 -0.273 OA BRANCH 9 15 ATOM 13 C LIG 1 5.524 -0.372 2.165 0.00 0.00 +0.239 C ATOM 14 N LIG 1 6.060 0.127 0.981 0.00 0.00 -0.286 N ATOM 15 C LIG 1 6.547 -0.718 -0.139 0.00 0.00 +0.162 C ATOM 16 C LIG 1 7.801 -0.121 -0.790 0.00 0.00 +0.032 C ATOM 17 C LIG 1 7.587 1.309 -1.284 0.00 0.00 +0.004 C ATOM 18 C LIG 1 6.624 2.109 -0.409 0.00 0.00 +0.019 C ATOM 19 C LIG 1 6.493 1.528 0.993 0.00 0.00 +0.109 C ATOM 20 O LIG 1 5.370 0.329 3.162 0.00 0.00 -0.271 OA BRANCH 13 22 ATOM 21 C LIG 1 4.848 -2.416 3.342 0.00 0.00 +0.013 C ATOM 22 C LIG 1 5.094 -1.799 2.179 0.00 0.00 +0.060 C ENDBRANCH 13 22 ENDBRANCH 9 15 ENDBRANCH 2 10 ENDBRANCH 1 4 BRANCH 1 23 ATOM 23 N LIG 1 -1.174 0.156 -0.369 0.00 0.00 -0.309 N ATOM 24 H LIG 1 -1.023 -0.835 -0.527 0.00 0.00 +0.149 HD BRANCH 23 25 ATOM 25 C LIG 1 -2.414 0.424 0.169 0.00 0.00 +0.221 A ATOM 26 N LIG 1 -2.938 1.720 0.309 0.00 0.00 -0.183 N ATOM 27 C LIG 1 -4.181 1.912 0.851 0.00 0.00 +0.166 A ATOM 28 C LIG 1 -4.395 3.276 0.848 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -3.212 3.806 0.271 0.00 0.00 +0.141 A ATOM 30 N LIG 1 -4.917 0.848 1.261 0.00 0.00 -0.195 NA ATOM 31 C LIG 1 -4.388 -0.343 1.117 0.00 0.00 +0.220 A ATOM 32 N LIG 1 -2.324 2.867 -0.067 0.00 0.00 -0.170 NA ATOM 33 N LIG 1 -3.147 -0.578 0.572 0.00 0.00 -0.181 NA BRANCH 28 34 ATOM 34 C LIG 1 -5.603 4.012 1.343 0.00 0.00 +0.018 C ATOM 35 C LIG 1 -6.292 4.788 0.218 0.00 0.00 +0.012 C ATOM 36 C LIG 1 -5.257 4.946 2.505 0.00 0.00 +0.012 C ENDBRANCH 28 34 BRANCH 31 37 ATOM 37 N LIG 1 -5.155 -1.389 1.540 0.00 0.00 -0.310 N ATOM 38 H LIG 1 -6.093 -1.083 1.770 0.00 0.00 +0.149 HD BRANCH 37 39 ATOM 39 C LIG 1 -5.026 -2.785 1.167 0.00 0.00 +0.077 C ATOM 40 C LIG 1 -3.768 -3.438 1.738 0.00 0.00 +0.050 C ATOM 41 C LIG 1 -3.706 -4.895 1.300 0.00 0.00 +0.161 C ATOM 42 O LIG 1 -3.769 -5.003 -0.122 0.00 0.00 -0.380 OA ATOM 43 C LIG 1 -4.984 -4.482 -0.659 0.00 0.00 +0.161 C ATOM 44 C LIG 1 -5.128 -3.000 -0.342 0.00 0.00 +0.050 C ENDBRANCH 37 39 ENDBRANCH 31 37 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 9