REMARK  Name = BDB015244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.584   0.242  -0.324  0.00  0.00    +0.192 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.704   0.814  -0.590  0.00  0.00    -0.372 OA
BRANCH   2   3
ATOM      3  C   LIG    1        1.757   0.236   0.190  0.00  0.00    +0.198 C 
BRANCH   3  13
ATOM      4  C   LIG    1        4.280   0.480   0.349  0.00  0.00    +0.133 A 
ATOM      5  C   LIG    1        5.552   0.794  -0.195  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        5.642   1.083  -1.575  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        6.891   1.382  -2.146  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        8.048   1.409  -1.366  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        7.970   1.142  -0.005  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.481   1.075  -2.360  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        3.232   0.807  -1.793  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        6.736   0.840   0.574  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        3.107   0.529  -0.427  0.00  0.00    +0.020 A 
BRANCH   4  15
ATOM     14  C   LIG    1        4.340  -1.228   1.894  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        4.173   0.178   1.690  0.00  0.00    -0.494 OA
ENDBRANCH   4  15
ENDBRANCH   3  13
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -1.077   0.492   1.108  0.00  0.00    +0.154 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -0.484  -0.477   1.995  0.00  0.00    -0.388 OA
ATOM     18  H   LIG    1       -1.120  -1.222   2.003  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -2.613   0.398   1.266  0.00  0.00    +0.118 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.086  -1.008   1.226  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -3.567  -1.406  -0.115  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -4.924  -0.857  -0.504  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -5.843  -0.439   0.474  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -7.104   0.035   0.088  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -7.459   0.074  -1.260  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.558  -0.356  -2.231  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.454  -0.443   1.931  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -5.298  -0.823  -1.856  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -4.174  -1.249   2.197  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 8