REMARK  Name = BDB007684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.047   1.052   0.411  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.339   0.352  -0.738  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.387   0.188  -1.421  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.922   1.482   1.155  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.780   0.791   0.449  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        2.425   0.532   0.166  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        1.391   1.321   0.696  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        1.706   2.386   1.541  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        3.038   2.679   1.810  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        4.057   1.900   1.251  0.00  0.00    +0.023 A 
BRANCH   5  11
ATOM     11  N   LIG    1        4.731   0.003  -0.181  0.00  0.00    -0.341 N 
ATOM     12  H   LIG    1        4.354  -0.902  -0.454  0.00  0.00    +0.146 HD
BRANCH  11  15
ATOM     13  C   LIG    1        5.657  -1.789   1.942  0.00  0.00    +0.011 C 
ATOM     14  C   LIG    1        6.582  -0.687   1.429  0.00  0.00    +0.032 C 
ATOM     15  C   LIG    1        6.177  -0.077   0.074  0.00  0.00    +0.078 C 
ATOM     16  C   LIG    1        6.943   1.198  -0.290  0.00  0.00    +0.050 C 
ATOM     17  C   LIG    1        8.024   1.498   0.736  0.00  0.00    +0.161 C 
ATOM     18  O   LIG    1        7.460   1.572   2.039  0.00  0.00    -0.379 OA
ATOM     19  C   LIG    1        6.864   0.361   2.507  0.00  0.00    +0.164 C 
ENDBRANCH  11  15
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1       -1.704  -0.016  -1.106  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.554   1.192  -1.548  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -3.068   1.925  -0.430  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -2.367   1.918   0.261  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.721   0.772  -2.477  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.541  -0.374  -2.021  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -5.294  -0.029  -0.791  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -6.343  -1.054  -0.401  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.820  -1.999  -1.325  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.809  -2.914  -0.941  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.340  -2.877   0.347  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.886  -1.928   1.262  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.215  -2.064  -2.702  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -6.894  -1.020   0.890  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -5.491  -0.765  -3.077  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8