REMARK  Name = BDB012910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.722  -0.347  -1.294  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.823  -0.177  -0.257  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.593  -0.456  -0.468  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.248  -0.238   0.905  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.347   0.831   1.522  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        1.042   0.428   1.044  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.323  -0.660  -2.416  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        5.263   0.135  -0.456  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        5.267   0.214  -1.791  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        3.984   0.012  -2.130  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.731  -0.011  -3.113  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        3.132  -0.138  -1.066  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        3.956  -0.093   0.041  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.535  -0.834   0.000  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        6.533   0.273   0.335  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        7.171   1.651   0.151  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -2.638   0.178   0.854  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1       -2.939   0.911   1.485  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -3.606  -0.676   0.361  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -3.335  -1.762  -0.140  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.021  -0.126   0.467  0.00  0.00    +0.101 C 
ATOM     22  C   LIG    1       -5.167   1.047  -0.507  0.00  0.00    +0.172 C 
ATOM     23  O   LIG    1       -6.531   1.224  -0.877  0.00  0.00    -0.379 OA
ATOM     24  C   LIG    1       -7.018   0.155  -1.692  0.00  0.00    +0.160 C 
ATOM     25  C   LIG    1       -6.513  -1.217  -1.247  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1       -6.090  -1.201   0.216  0.00  0.00    +0.017 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4