REMARK  Name = BDB054419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.380  -1.260  -1.247  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        0.594  -0.314  -0.685  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -0.606  -0.069  -1.244  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -1.042  -0.738  -2.381  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.228  -1.713  -2.948  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.004  -1.987  -2.369  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        4.192   1.581   0.829  0.00  0.00    +0.068 A 
ATOM      8  C   LIG    1        3.274   0.852   0.168  0.00  0.00    +0.112 A 
ATOM      9  N   LIG    1        3.435  -0.533   0.050  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        4.542  -1.204   0.576  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        4.508  -2.490   0.310  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        3.349  -2.676  -0.393  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        5.509  -0.434   1.281  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        2.649  -1.494  -0.571  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1        5.346   0.897   1.406  0.00  0.00    +0.024 A 
BRANCH   7  17
ATOM     16  N   LIG    1        3.957   4.141   1.097  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1        4.059   2.992   0.974  0.00  0.00    +0.101 C 
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  18
ATOM     18  N   LIG    1       -1.356   0.925  -0.625  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1       -0.792   1.227   0.169  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.727   0.583  -0.228  0.00  0.00    +0.074 C 
ATOM     21  C   LIG    1       -2.738  -0.409   0.942  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -4.161  -0.630   1.448  0.00  0.00    +0.082 C 
ATOM     23  N   LIG    1       -4.808   0.625   1.831  0.00  0.00    -0.316 NA
ATOM     24  H   LIG    1       -4.300   1.043   2.611  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -4.843   1.570   0.714  0.00  0.00    +0.082 C 
ATOM     26  C   LIG    1       -3.445   1.875   0.184  0.00  0.00    +0.037 C 
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 4