REMARK  Name = BDB051644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.993   0.225  -0.777  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -0.391   0.096  -0.895  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -1.290  -0.352   0.181  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1       -1.357  -1.884   0.335  0.00  0.00    +0.131 C 
ATOM      5  N   LIG    1       -2.193  -2.237   1.469  0.00  0.00    -0.309 N 
ATOM      6  H   LIG    1       -2.074  -3.124   1.945  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -3.401  -1.615   1.706  0.00  0.00    +0.244 C 
ATOM      8  C   LIG    1       -3.717  -0.428   0.860  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -5.021   0.075   0.839  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -5.345   1.124  -0.023  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.380   1.648  -0.886  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.075   1.143  -0.879  0.00  0.00    -0.040 A 
ATOM     13  C   LIG    1       -2.043   1.638  -1.860  0.00  0.00    +0.054 C 
ATOM     14  O   LIG    1       -4.177  -2.038   2.552  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -2.724   0.138   0.039  0.00  0.00    -0.010 A 
ATOM     16  C   LIG    1       -1.030   0.524  -2.142  0.00  0.00    +0.113 C 
ATOM     17  O   LIG    1        1.685   0.570  -1.736  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        1.608  -0.041   0.597  0.00  0.00    +0.131 C 
BRANCH  18  22
ATOM     19  C   LIG    1        5.929   0.099   0.622  0.00  0.00    +0.052 A 
ATOM     20  C   LIG    1        5.267  -1.097   0.331  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1        3.871  -1.143   0.326  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        3.121   0.005   0.618  0.00  0.00    -0.039 A 
ATOM     23  C   LIG    1        3.792   1.204   0.901  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        5.188   1.250   0.906  0.00  0.00    +0.019 A 
BRANCH  19  26
ATOM     25  N   LIG    1        8.522   0.183   0.634  0.00  0.00    -0.191 NA
ATOM     26  C   LIG    1        7.362   0.147   0.625  0.00  0.00    +0.099 C 
ENDBRANCH  19  26
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3