REMARK  Name = BDB061226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.946   1.469  -0.528  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1        2.974   0.486  -0.492  0.00  0.00    -0.230 N 
ATOM      3  C   LIG    1        3.543  -0.547   0.205  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1        2.791  -1.750   0.465  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        1.483  -1.821  -0.044  0.00  0.00    +0.058 A 
ATOM      6  N   LIG    1        0.980  -0.721  -0.820  0.00  0.00    -0.284 N 
ATOM      7  C   LIG    1        0.728  -2.970   0.233  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        1.273  -4.021   0.980  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        2.576  -3.941   1.463  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.336  -2.803   1.209  0.00  0.00    +0.013 A 
ATOM     11  N   LIG    1        4.772  -0.237   0.551  0.00  0.00    -0.129 NA
ATOM     12  C   LIG    1        1.686   0.474  -1.031  0.00  0.00    +0.337 A 
ATOM     13  O   LIG    1        1.275   1.449  -1.648  0.00  0.00    -0.246 OA
ATOM     14  N   LIG    1        5.026   1.029   0.090  0.00  0.00    -0.134 NA
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1        3.111   3.799  -0.244  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1        3.809   2.809  -1.162  0.00  0.00    +0.073 C 
ENDBRANCH   1  16
BRANCH   6  17
ATOM     17  C   LIG    1       -0.382  -0.746  -1.352  0.00  0.00    +0.222 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.425  -0.269  -0.328  0.00  0.00    +0.237 C 
ATOM     19  N   LIG    1       -2.676  -0.100  -0.907  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1       -2.742  -0.227  -1.910  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1       -1.147  -0.107   0.856  0.00  0.00    -0.274 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.874   0.283  -0.267  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1       -3.989   0.521   1.103  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.218   0.894   1.658  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -6.342   1.033   0.847  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.239   0.798  -0.520  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.011   0.425  -1.075  0.00  0.00    +0.023 A 
ENDBRANCH  19  22
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 4