REMARK  Name = BDB061310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.630   2.141  -1.687  0.00  0.00    +0.184 C 
ENDROOT
BRANCH   1   5
ATOM      2  N   LIG    1       -2.367   0.409  -0.545  0.00  0.00    -0.254 N 
ATOM      3  C   LIG    1       -1.591   1.577  -0.718  0.00  0.00    +0.310 C 
ATOM      4  O   LIG    1       -1.777   2.696  -0.265  0.00  0.00    -0.252 OA
ATOM      5  N   LIG    1       -0.501   1.243  -1.539  0.00  0.00    -0.274 N 
ATOM      6  C   LIG    1       -0.393  -0.196  -1.677  0.00  0.00    +0.093 C 
ATOM      7  C   LIG    1        0.038  -0.651  -3.062  0.00  0.00    +0.030 C 
ATOM      8  C   LIG    1       -1.792  -0.682  -1.305  0.00  0.00    +0.137 C 
BRANCH   2  14
ATOM      9  C   LIG    1       -7.324  -0.087   2.368  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -6.036   0.017   1.599  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1       -5.536  -1.059   0.846  0.00  0.00    -0.046 A 
ATOM     12  C   LIG    1       -6.272  -2.369   0.770  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -4.323  -0.906   0.144  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -3.589   0.292   0.171  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -4.106   1.345   0.928  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -5.310   1.212   1.631  0.00  0.00    +0.005 A 
ENDBRANCH   2  14
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1        1.617   1.910  -0.602  0.00  0.00    +0.123 A 
ATOM     18  O   LIG    1        2.688   1.121  -0.905  0.00  0.00    -0.458 OA
ATOM     19  C   LIG    1        3.459   1.022   0.221  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1        2.874   1.749   1.240  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1        1.690   2.319   0.712  0.00  0.00    +0.047 A 
BRANCH  19  22
ATOM     22  C   LIG    1        4.667   0.206   0.108  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1        5.487  -0.011   1.225  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        6.649  -0.793   1.126  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1        7.000  -1.366  -0.100  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        6.195  -1.158  -1.218  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.040  -0.379  -1.113  0.00  0.00    +0.011 A 
BRANCH  24  28
ATOM     28  C   LIG    1        7.470  -0.982   2.346  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        7.229  -0.518   3.445  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        8.556  -1.746   2.133  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        8.993  -1.781   3.009  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  19  22
ENDBRANCH   1  17
TORSDOF 6