REMARK  Name = BDB012956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.040   1.586  -0.850  0.00  0.00    +0.066 A 
ATOM      2  N   LIG    1       -2.069   2.623  -0.007  0.00  0.00    -0.178 NA
ATOM      3  N   LIG    1       -0.775   2.861   0.256  0.00  0.00    -0.272 N 
ATOM      4  H   LIG    1       -0.529   3.642   0.857  0.00  0.00    +0.189 HD
ATOM      5  C   LIG    1        0.096   1.980  -0.333  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -0.712   1.155  -1.091  0.00  0.00    +0.057 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        1.516   2.111  -0.116  0.00  0.00    +0.264 C 
ATOM      8  N   LIG    1        2.359   1.055  -0.410  0.00  0.00    -0.294 N 
ATOM      9  C   LIG    1        3.801   1.211  -0.265  0.00  0.00    +0.130 C 
ATOM     10  C   LIG    1        4.391  -0.123  -0.738  0.00  0.00    +0.092 C 
ATOM     11  C   LIG    1        3.282  -1.114  -0.393  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1        2.016  -0.326  -0.704  0.00  0.00    +0.110 C 
ATOM     13  O   LIG    1        1.973   3.156   0.349  0.00  0.00    -0.268 OA
BRANCH  10  14
ATOM     14  N   LIG    1        5.655  -0.461  -0.117  0.00  0.00    -0.311 N 
ATOM     15  H   LIG    1        5.652  -0.939   0.772  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        6.816   0.162  -0.515  0.00  0.00    +0.216 C 
ATOM     17  O   LIG    1        6.878   0.936  -1.461  0.00  0.00    -0.276 OA
BRANCH  16  18
ATOM     18  C   LIG    1        8.041  -0.127   0.281  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1        8.022  -0.130   1.792  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        8.251  -1.413   1.044  0.00  0.00    +0.013 C 
ENDBRANCH  16  18
ENDBRANCH  10  14
ENDBRANCH   5   7
BRANCH   1  22
ATOM     21  C   LIG    1       -4.117   2.083  -2.164  0.00  0.00    +0.014 C 
ATOM     22  C   LIG    1       -3.309   1.012  -1.423  0.00  0.00    +0.037 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.131   0.302  -0.327  0.00  0.00    +0.014 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.348  -0.449  -0.876  0.00  0.00    +0.036 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -6.024  -1.274   0.192  0.00  0.00    -0.047 A 
ATOM     26  C   LIG    1       -6.891  -0.670   1.112  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -7.507  -1.429   2.108  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.260  -2.798   2.195  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.396  -3.408   1.288  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.778  -2.650   0.292  0.00  0.00    +0.003 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7