REMARK  Name = BDB051654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.333  -1.782  -2.238  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.332  -1.358  -1.675  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -3.412  -0.387  -0.548  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.261  -0.051   0.191  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -2.352   0.931   1.193  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -1.105   1.340   1.924  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        0.092   1.240   0.977  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1        0.249  -0.119   0.451  0.00  0.00    -0.291 N 
ATOM      9  C   LIG    1        1.432  -0.851   0.483  0.00  0.00    +0.233 C 
ATOM     10  O   LIG    1        1.454  -2.040   0.149  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1       -3.590   1.513   1.492  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.730   1.150   0.775  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -0.958  -0.795  -0.070  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1       -0.873  -1.092  -1.583  0.00  0.00    +0.131 C 
ATOM     15  C   LIG    1       -4.642   0.209  -0.250  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1       -2.075  -1.746  -2.067  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -2.042  -2.322  -2.899  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        2.732  -0.145   0.948  0.00  0.00    +0.141 C 
ATOM     19  N   LIG    1        3.859  -1.113   0.981  0.00  0.00    -0.306 NA
ATOM     20  H   LIG    1        3.469  -2.060   1.027  0.00  0.00    +0.123 HD
ATOM     21  C   LIG    1        4.577  -0.951  -0.282  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1        4.564   0.547  -0.482  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1        3.176   0.957  -0.016  0.00  0.00    +0.029 C 
ENDBRANCH   9  18
TORSDOF 1