REMARK  Name = BDB051651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.084  -2.185  -1.064  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -4.992  -1.689  -0.817  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -4.857  -0.325  -0.234  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.604   0.146   0.202  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -3.487   1.472   0.652  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -2.129   1.999   1.028  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -1.065   1.315   0.168  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1       -1.101  -0.141   0.341  0.00  0.00    -0.293 N 
ATOM      9  C   LIG    1       -0.002  -0.933   0.646  0.00  0.00    +0.218 C 
ATOM     10  O   LIG    1       -0.105  -2.148   0.812  0.00  0.00    -0.276 OA
ATOM     11  C   LIG    1       -4.624   2.284   0.735  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -5.869   1.796   0.337  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.415  -0.806   0.222  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1       -2.523  -1.726  -1.013  0.00  0.00    +0.131 C 
ATOM     15  C   LIG    1       -5.986   0.497  -0.158  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1       -3.825  -2.364  -1.085  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -3.939  -3.241  -1.579  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        1.343  -0.248   0.766  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.450  -1.260   1.038  0.00  0.00    +0.132 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.743  -0.615   1.150  0.00  0.00    -0.330 N 
ATOM     21  C   LIG    1        4.583  -0.277   0.117  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        5.659   0.342   0.750  0.00  0.00    +0.089 A 
ATOM     23  C   LIG    1        6.725   0.829  -0.021  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        6.676   0.676  -1.411  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.588   0.051  -2.023  0.00  0.00    +0.002 A 
ATOM     26  N   LIG    1        5.480   0.373   2.112  0.00  0.00    -0.236 NA
ATOM     27  C   LIG    1        4.514  -0.440  -1.272  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        4.327  -0.219   2.321  0.00  0.00    +0.200 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 3