REMARK  Name = BDB058127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.900  -0.426   0.972  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1       -4.856  -1.358   0.516  0.00  0.00    +0.275 A 
ATOM      3  O   LIG    1       -6.070  -1.204   0.618  0.00  0.00    -0.265 OA
ATOM      4  C   LIG    1       -4.267  -2.523  -0.094  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -2.914  -2.730  -0.249  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -2.731  -3.966  -0.901  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -3.991  -4.489  -1.119  0.00  0.00    +0.084 A 
ATOM      8  C   LIG    1       -2.004  -1.730   0.221  0.00  0.00    +0.008 A 
ATOM      9  N   LIG    1       -4.919  -3.603  -0.625  0.00  0.00    -0.356 N 
ATOM     10  H   LIG    1       -5.926  -3.711  -0.650  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -2.522  -0.624   0.808  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -0.531  -1.828   0.136  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        0.201  -0.947  -0.670  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        1.594  -1.051  -0.731  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        2.263  -2.059  -0.029  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        1.538  -2.940   0.771  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        0.148  -2.822   0.857  0.00  0.00    +0.008 A 
BRANCH  14  18
ATOM     18  C   LIG    1        2.341  -0.126  -1.611  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1        3.423   0.581  -1.082  0.00  0.00    -0.295 N 
ATOM     20  C   LIG    1        4.114   1.494  -1.995  0.00  0.00    +0.123 C 
ATOM     21  C   LIG    1        5.525   1.862  -1.503  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        5.520   2.370  -0.115  0.00  0.00    -0.302 NA
ATOM     23  C   LIG    1        6.879   2.683   0.323  0.00  0.00    +0.105 C 
ATOM     24  C   LIG    1        4.902   1.367   0.773  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1        3.475   0.997   0.327  0.00  0.00    +0.123 C 
ATOM     26  O   LIG    1        1.980  -0.040  -2.783  0.00  0.00    -0.270 OA
ENDBRANCH  14  18
ENDBRANCH   8  12
BRANCH   1  27
ATOM     27  C   LIG    1       -4.376   0.815   1.583  0.00  0.00    +0.129 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.665   1.895   0.531  0.00  0.00    +0.048 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -5.327   3.603   2.313  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -5.118   3.239   1.041  0.00  0.00    -0.033 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 5