REMARK  Name = BDB028525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.580  -1.455   0.882  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.545  -0.483   0.134  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.681   0.182  -0.293  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -3.981  -0.395   0.063  0.00  0.00    +0.119 C 
ATOM      5  C   LIG    1       -5.092   0.051  -0.896  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1       -5.222   1.585  -0.944  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -3.920   2.306  -0.590  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1       -2.684   1.491  -0.951  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -0.366   0.041  -0.335  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.435   0.389  -1.280  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.419  -0.612  -0.613  0.00  0.00    +0.064 A 
ATOM     12  N   LIG    1       -7.028  -1.234  -1.655  0.00  0.00    -0.257 NA
ATOM     13  C   LIG    1       -8.220  -1.816  -1.388  0.00  0.00    +0.130 A 
ATOM     14  C   LIG    1       -8.799  -1.778  -0.133  0.00  0.00    +0.130 A 
ATOM     15  N   LIG    1       -8.213  -1.155   0.912  0.00  0.00    -0.260 NA
ATOM     16  C   LIG    1       -7.018  -0.577   0.645  0.00  0.00    +0.134 A 
ENDBRANCH   5  11
BRANCH   9  17
ATOM     17  C   LIG    1        0.902  -0.616  -0.021  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.326  -0.389   1.440  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.429   1.020   1.704  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        0.592   1.395   1.372  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.644  -1.114   1.797  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.775  -0.931   0.859  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.249   0.471   0.859  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.549   0.684   0.105  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.402  -0.392  -0.192  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.606  -0.161  -0.871  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        7.975   1.135  -1.229  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.143   2.207  -0.918  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.990  -1.794   0.168  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        5.937   1.984  -0.253  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.888  -1.821   1.234  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 6