REMARK  Name = BDB051645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.644  -1.239   2.090  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.592  -0.994   1.516  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -3.433   0.191   0.627  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.276   0.343  -0.161  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -2.100   1.525  -0.899  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -0.818   1.729  -1.657  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        0.327   1.020  -0.931  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1        0.049  -0.413  -0.781  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        0.942  -1.432  -1.086  0.00  0.00    +0.222 C 
ATOM     10  O   LIG    1        0.634  -2.620  -0.938  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.108   2.497  -0.912  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.271   2.317  -0.163  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.263  -0.793  -0.224  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1       -1.173  -1.417   1.186  0.00  0.00    +0.131 C 
ATOM     15  C   LIG    1       -4.430   1.172   0.616  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1       -2.486  -1.793   1.680  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -2.582  -2.528   2.370  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        2.329  -1.089  -1.594  0.00  0.00    +0.151 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.252  -0.686  -0.476  0.00  0.00    +0.050 A 
ATOM     20  N   LIG    1        3.656   0.609  -0.444  0.00  0.00    -0.259 NA
ATOM     21  C   LIG    1        4.485   0.977   0.559  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        4.932   0.114   1.545  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        4.507  -1.207   1.501  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        3.657  -1.617   0.478  0.00  0.00    +0.024 A 
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 2