REMARK  Name = BDB048388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.254   1.196  -0.267  0.00  0.00    -0.264 N 
ATOM      2  C   LIG    1       -1.795  -0.047  -0.188  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1       -3.218  -0.444  -0.279  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1       -3.369  -1.868   0.300  0.00  0.00    +0.114 C 
ATOM      5  N   LIG    1       -2.301  -2.792  -0.147  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -0.904  -2.391   0.107  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.507  -4.148  -0.365  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -1.577  -4.955  -0.430  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -3.929  -4.617  -0.536  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -0.741  -0.919  -0.024  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        0.420  -0.100   0.005  0.00  0.00    +0.150 A 
ATOM     12  N   LIG    1        0.083   1.188  -0.132  0.00  0.00    -0.155 NA
ENDROOT
BRANCH  11  13
ATOM     13  N   LIG    1        1.662  -0.623   0.161  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        1.737  -1.631   0.210  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.939  -0.018   0.228  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        4.066  -0.846   0.395  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        5.366  -0.321   0.469  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1        6.541  -1.230   0.678  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        5.543   1.062   0.403  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        4.441   1.898   0.240  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.153   1.360   0.153  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH  11  13
BRANCH   1  22
ATOM     22  C   LIG    1       -1.934   2.458  -0.462  0.00  0.00    +0.172 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.132   3.198   0.854  0.00  0.00    +0.182 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -2.227   5.483   0.206  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -2.955   4.357   0.683  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 5