REMARK Name = BDB029644 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.869 1.355 -0.705 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 1.334 0.277 0.161 0.00 0.00 +0.103 C ATOM 3 C LIG 1 -0.007 0.617 0.853 0.00 0.00 +0.120 C ATOM 4 N LIG 1 -1.048 0.881 -0.157 0.00 0.00 -0.326 N ATOM 5 C LIG 1 -0.594 1.523 -1.404 0.00 0.00 +0.120 C ATOM 6 C LIG 1 0.780 2.212 -1.221 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.394 0.815 0.159 0.00 0.00 +0.048 A ATOM 8 C LIG 1 -2.880 0.727 1.470 0.00 0.00 +0.134 A ATOM 9 N LIG 1 -4.185 0.647 1.837 0.00 0.00 -0.249 NA ATOM 10 C LIG 1 -5.094 0.653 0.838 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -4.744 0.731 -0.502 0.00 0.00 +0.035 A ATOM 12 C LIG 1 -3.387 0.808 -0.830 0.00 0.00 +0.027 A BRANCH 10 13 ATOM 13 C LIG 1 -6.533 0.561 1.243 0.00 0.00 +0.263 C ATOM 14 N LIG 1 -7.325 -0.272 0.462 0.00 0.00 -0.305 N ATOM 15 H LIG 1 -6.842 -0.965 -0.096 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -6.969 1.174 2.211 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 -8.687 -0.566 0.871 0.00 0.00 +0.101 C ATOM 18 C LIG 1 -9.631 0.639 0.890 0.00 0.00 +0.182 C ATOM 19 O LIG 1 -10.932 0.177 0.478 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -10.841 -1.224 0.206 0.00 0.00 +0.162 C ATOM 21 C LIG 1 -9.388 -1.498 -0.095 0.00 0.00 +0.052 C ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 C LIG 1 2.694 0.813 -1.795 0.00 0.00 +0.121 C BRANCH 22 32 ATOM 23 C LIG 1 8.342 -1.260 0.706 0.00 0.00 +0.019 A ATOM 24 C LIG 1 8.111 0.148 1.171 0.00 0.00 +0.252 A ATOM 25 O LIG 1 8.906 0.727 1.904 0.00 0.00 -0.268 OA ATOM 26 N LIG 1 6.965 0.767 0.742 0.00 0.00 -0.321 N ATOM 27 H LIG 1 6.824 1.714 1.063 0.00 0.00 +0.169 HD ATOM 28 C LIG 1 6.021 0.144 -0.082 0.00 0.00 +0.068 A ATOM 29 C LIG 1 6.224 -1.167 -0.505 0.00 0.00 +0.088 A ATOM 30 N LIG 1 5.366 -1.843 -1.298 0.00 0.00 -0.253 NA ATOM 31 C LIG 1 4.253 -1.173 -1.681 0.00 0.00 +0.116 A ATOM 32 C LIG 1 3.953 0.137 -1.309 0.00 0.00 -0.013 A ATOM 33 C LIG 1 4.872 0.808 -0.491 0.00 0.00 +0.034 A ATOM 34 C LIG 1 7.431 -1.866 -0.077 0.00 0.00 +0.038 A BRANCH 23 36 ATOM 35 C LIG 1 10.826 -1.502 0.409 0.00 0.00 +0.009 C ATOM 36 C LIG 1 9.592 -1.946 1.183 0.00 0.00 +0.037 C ENDBRANCH 23 36 ENDBRANCH 22 32 ENDBRANCH 1 22 TORSDOF 6