REMARK  Name = BDB007491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.229  -2.678  -0.283  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.885  -1.656  -0.101  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1       -1.660  -0.492  -0.795  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -2.253   0.318  -0.612  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.932  -1.623   0.958  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -4.182  -0.986   0.817  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -5.076  -1.033   1.907  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -4.752  -1.703   3.088  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.526  -2.348   3.205  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.622  -2.312   2.145  0.00  0.00    +0.014 A 
BRANCH   6  11
ATOM     11  C   LIG    1       -4.612  -0.311  -0.410  0.00  0.00    +0.072 A 
ATOM     12  N   LIG    1       -4.107   0.936  -0.598  0.00  0.00    -0.255 NA
ATOM     13  C   LIG    1       -4.510   1.604  -1.704  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -5.380   1.082  -2.646  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -5.876  -0.200  -2.443  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -5.492  -0.909  -1.308  0.00  0.00    +0.028 A 
ENDBRANCH   6  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1       -0.679  -0.409  -1.856  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.776  -0.360  -1.350  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.643  -0.598  -2.470  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        1.553  -1.543  -2.688  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        1.090   1.021  -0.721  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        2.324   1.173   0.074  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        3.547   0.946  -0.712  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        4.811   1.127   0.110  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        4.781   0.999   1.511  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        5.967   1.130   2.246  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        7.178   1.360   1.594  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.213   1.467   0.205  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.466   0.791   2.221  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        6.037   1.347  -0.534  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        2.343   0.335   1.277  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7