REMARK  Name = BDB003082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.992   0.532   0.703  0.00  0.00    -0.308 N 
ATOM      2  C   LIG    1       -4.068  -0.641  -0.113  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1       -2.911  -1.094  -0.777  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -2.980  -2.253  -1.573  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -4.175  -2.954  -1.721  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -5.319  -2.504  -1.076  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -1.641  -0.355  -0.635  0.00  0.00    +0.135 A 
ATOM      8  C   LIG    1       -1.619   0.750   0.121  0.00  0.00    +0.116 A 
ATOM      9  C   LIG    1       -5.266  -1.357  -0.279  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -2.818   1.263   0.815  0.00  0.00    +0.255 A 
ATOM     11  O   LIG    1       -2.708   2.314   1.447  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -6.007   1.963   0.534  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -5.165   1.045   1.408  0.00  0.00    +0.122 C 
ENDBRANCH   1  13
BRANCH   7  14
ATOM     14  O   LIG    1       -0.576  -0.895  -1.324  0.00  0.00    -0.482 OA
BRANCH  14  15
ATOM     15  C   LIG    1        0.691  -0.261  -1.257  0.00  0.00    +0.324 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.474  -0.460   0.048  0.00  0.00    +0.251 C 
ATOM     17  N   LIG    1        2.567   0.383   0.168  0.00  0.00    -0.313 N 
ATOM     18  H   LIG    1        2.613   1.195  -0.434  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        1.173  -1.289   0.901  0.00  0.00    -0.272 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.344   0.410   1.392  0.00  0.00    +0.104 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.713   1.059   1.193  0.00  0.00    +0.022 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.630   0.336   0.186  0.00  0.00    -0.016 C 
ATOM     23  C   LIG    1        6.932   1.125   0.016  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1        5.948  -1.098   0.611  0.00  0.00    +0.007 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   7  14
TORSDOF 7