REMARK  Name = BDB014569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.242   0.060   0.249  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.015   0.478   0.695  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.346   1.273   0.176  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.765   0.681  -0.674  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -1.872  -1.168   0.928  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -3.187  -1.536   0.534  0.00  0.00    -0.482 OA
BRANCH   6  16
ATOM      7  C   LIG    1       -4.452  -1.070  -2.293  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -5.289  -0.279  -1.355  0.00  0.00    -0.022 A 
ATOM      9  C   LIG    1       -5.108  -0.162   0.065  0.00  0.00    +0.044 A 
ATOM     10  C   LIG    1       -6.125   0.673   0.543  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1       -6.259   0.988   1.904  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -5.351   0.422   2.801  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -4.329  -0.413   2.354  0.00  0.00    +0.046 A 
ATOM     14  N   LIG    1       -6.875   1.060  -0.547  0.00  0.00    -0.349 N 
ATOM     15  C   LIG    1       -8.020   1.941  -0.495  0.00  0.00    +0.149 C 
ATOM     16  C   LIG    1       -4.172  -0.689   0.988  0.00  0.00    +0.131 A 
ATOM     17  C   LIG    1       -6.388   0.487  -1.689  0.00  0.00    +0.090 A 
ENDBRANCH   6  16
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1        0.935  -0.243   1.524  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.819  -1.226   0.733  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.664  -1.957   1.629  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        2.096  -2.500   2.201  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.661  -0.551  -0.383  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.333   0.709  -0.001  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        4.522   0.490   0.847  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.752  -0.008   0.116  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        5.908   0.204  -1.266  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.074  -0.231  -1.910  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        8.090  -0.852  -1.185  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.946  -1.050   0.187  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.795   0.833  -2.066  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        6.785  -0.627   0.835  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        3.733   1.500  -1.179  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8