REMARK  Name = BDB025439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.797   3.393   0.313  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1        3.054   2.204   0.657  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1        2.372   2.324   1.391  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1        3.712   1.000   0.722  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1        2.914  -0.072   1.088  0.00  0.00    -0.280 N 
ATOM      6  C   LIG    1        1.462  -0.123   0.846  0.00  0.00    +0.165 C 
ATOM      7  C   LIG    1        1.173  -1.213  -0.135  0.00  0.00    +0.070 A 
ATOM      8  C   LIG    1        2.094  -2.176  -0.522  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        1.429  -2.977  -1.447  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1        0.187  -2.574  -1.646  0.00  0.00    -0.149 NA
ATOM     11  C   LIG    1        3.487  -2.224   0.004  0.00  0.00    +0.059 C 
ATOM     12  N   LIG    1       -0.006  -1.491  -0.830  0.00  0.00    -0.200 N 
ATOM     13  C   LIG    1       -1.302  -0.903  -0.862  0.00  0.00    +0.255 C 
ATOM     14  O   LIG    1       -2.124  -1.298  -1.688  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        3.573  -1.374   1.281  0.00  0.00    +0.114 C 
ATOM     16  O   LIG    1        4.912   0.893   0.490  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  13  17
ATOM     17  C   LIG    1       -1.585   0.221   0.113  0.00  0.00    +0.113 C 
ATOM     18  C   LIG    1       -3.002   0.156   0.664  0.00  0.00    -0.014 A 
ATOM     19  C   LIG    1       -3.963   1.113   0.297  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1       -5.232   1.058   0.889  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -5.572   0.031   1.771  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.634  -0.943   2.095  0.00  0.00    +0.000 A 
ATOM     23  N   LIG    1       -3.644   2.205  -0.527  0.00  0.00    -0.344 N 
ATOM     24  H   LIG    1       -4.468   2.539  -1.025  0.00  0.00    +0.146 HD
ATOM     25  C   LIG    1       -2.502   2.004  -1.404  0.00  0.00    +0.102 C 
ATOM     26  C   LIG    1       -3.352  -0.879   1.551  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -1.302   1.562  -0.579  0.00  0.00    +0.036 C 
ENDBRANCH  13  17
BRANCH   9  28
ATOM     28  N   LIG    1        1.971  -4.024  -2.078  0.00  0.00    -0.341 N 
ATOM     29  H   LIG    1        1.440  -4.367  -2.873  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        2.970  -4.054  -2.235  0.00  0.00    +0.144 HD
ENDBRANCH   9  28
TORSDOF 2