REMARK  Name = BDB027787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.862  -0.441   0.133  0.00  0.00    +0.180 A 
ATOM      2  N   LIG    1        2.231  -1.683   0.470  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1        1.256  -2.592   0.586  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -0.091  -2.291   0.377  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.057  -3.320   0.493  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -0.644  -4.596   0.830  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        0.641  -4.913   1.057  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -0.363  -0.950   0.046  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        1.544  -3.906   0.922  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1        0.609  -0.031  -0.104  0.00  0.00    -0.211 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        1.700   2.673   0.467  0.00  0.00    +0.173 C 
ATOM     12  N   LIG    1        2.851   1.881   0.099  0.00  0.00    -0.264 N 
ATOM     13  C   LIG    1        2.945   0.513  -0.025  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1        4.285   0.280  -0.294  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1        4.892   1.542  -0.337  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1        4.025   2.523  -0.096  0.00  0.00    -0.179 NA
ENDBRANCH   1  13
BRANCH   8  17
ATOM     17  N   LIG    1       -1.712  -0.559  -0.181  0.00  0.00    -0.321 N 
ATOM     18  H   LIG    1       -2.256  -0.877   0.618  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.167   0.748  -0.639  0.00  0.00    +0.056 C 
ATOM     20  C   LIG    1       -3.709   0.874  -0.411  0.00  0.00    +0.028 C 
ATOM     21  C   LIG    1       -3.417   1.536   0.947  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1       -2.005   1.867   0.429  0.00  0.00    +0.028 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -1.771   1.051  -2.086  0.00  0.00    +0.181 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -0.413   1.466  -2.178  0.00  0.00    -0.393 OA
ATOM     25  H   LIG    1        0.100   0.846  -1.621  0.00  0.00    +0.209 HD
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH   8  17
TORSDOF 5