REMARK  Name = BDB031347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.901  -0.515   0.055  0.00  0.00    +0.408 C 
ATOM      2  N   LIG    1       -2.568  -0.216  -0.125  0.00  0.00    -0.237 N 
ATOM      3  C   LIG    1       -1.498  -1.123  -0.149  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -0.295  -0.443  -0.348  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1        0.913  -1.134  -0.387  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1        0.891  -2.531  -0.253  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -0.322  -3.207  -0.060  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.530   1.030  -0.497  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -1.527  -2.501  -0.002  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -2.046   1.143  -0.303  0.00  0.00    +0.122 C 
ATOM     11  O   LIG    1       -4.363  -1.637   0.218  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        2.197  -0.409  -0.584  0.00  0.00    +0.249 C 
ATOM     13  N   LIG    1        3.226  -0.843   0.233  0.00  0.00    -0.281 N 
ATOM     14  H   LIG    1        2.991  -1.534   0.934  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1        2.239   0.502  -1.400  0.00  0.00    -0.270 OA
BRANCH  13  16
ATOM     16  C   LIG    1        4.557  -0.372   0.253  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        5.052   0.584  -0.643  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1        6.374   0.946  -0.507  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1        7.203   0.399   0.468  0.00  0.00    +0.067 A 
ATOM     20  N   LIG    1        8.461   0.973   0.333  0.00  0.00    -0.306 N 
ATOM     21  H   LIG    1        9.282   0.790   0.886  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1        8.428   1.886  -0.731  0.00  0.00    +0.325 A 
ATOM     23  O   LIG    1        9.355   2.568  -1.130  0.00  0.00    -0.247 OA
ATOM     24  C   LIG    1        6.755  -0.541   1.361  0.00  0.00    +0.029 A 
ATOM     25  N   LIG    1        7.124   1.857  -1.244  0.00  0.00    -0.306 N 
ATOM     26  H   LIG    1        6.809   2.417  -2.019  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1        5.412  -0.926   1.244  0.00  0.00    +0.025 A 
ENDBRANCH  13  16
ENDBRANCH   5  12
BRANCH   1  28
ATOM     28  O   LIG    1       -4.659   0.617   0.032  0.00  0.00    -0.444 OA
BRANCH  28  30
ATOM     29  C   LIG    1       -6.483   0.018   1.577  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -6.099   0.563   0.197  0.00  0.00    +0.107 C 
ATOM     31  C   LIG    1       -6.762  -0.226  -0.937  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -6.554   2.028   0.106  0.00  0.00    +0.055 C 
ENDBRANCH  28  30
ENDBRANCH   1  28
TORSDOF 4