REMARK  Name = BDB032747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.787   0.912   0.223  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.918  -0.042  -0.288  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.908  -1.240  -0.082  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.988   0.663  -1.177  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.384   1.997  -1.246  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -1.678   2.894  -2.026  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -0.566   2.421  -2.734  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -0.173   1.062  -2.670  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1       -0.897   0.169  -1.868  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -3.600   2.210  -0.410  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -8.137  -1.686   2.388  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.158  -1.074   1.970  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.038  -0.756   0.641  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.782  -1.082   0.039  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -6.101   0.059   0.048  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -6.231   0.401  -1.127  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -4.999   0.601   0.972  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -4.770  -0.347   2.150  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -6.081  -0.553   2.893  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        1.038   0.588  -3.432  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.226   1.014  -2.752  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1        2.791   0.097  -1.924  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1        3.884   0.676  -1.344  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        4.038   1.630  -1.640  0.00  0.00    +0.158 HD
ATOM     25  O   LIG    1        2.366  -1.036  -1.759  0.00  0.00    -0.226 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.778   0.122  -0.413  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        4.662  -1.178   0.091  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        5.607  -1.622   1.004  0.00  0.00    -0.001 A 
ATOM     29  C   LIG    1        5.682  -2.909   1.731  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1        7.099  -2.785   2.291  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1        7.474  -1.387   2.337  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1        6.640  -0.801   1.421  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1        6.775   0.487   0.955  0.00  0.00    +0.048 A 
ATOM     34  C   LIG    1        5.837   0.947   0.026  0.00  0.00    +0.027 A 
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 5