REMARK  Name = BDB046659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.527  -0.341   1.912  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -1.224   0.088   0.820  0.00  0.00    -0.238 NA
ATOM      3  C   LIG    1       -2.411  -0.504   0.571  0.00  0.00    +0.114 A 
ATOM      4  C   LIG    1       -2.934  -1.535   1.385  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -4.168  -2.128   1.073  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -4.892  -1.699  -0.038  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1       -4.394  -0.667  -0.839  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -2.185  -1.946   2.495  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -3.155  -0.096  -0.537  0.00  0.00    +0.157 A 
ATOM     10  C   LIG    1       -0.963  -1.343   2.766  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1        1.512  -0.022   3.100  0.00  0.00    -0.269 OA
ATOM     12  C   LIG    1        0.791   0.327   2.171  0.00  0.00    +0.263 C 
ATOM     13  N   LIG    1        1.105   1.329   1.282  0.00  0.00    -0.306 N 
ATOM     14  H   LIG    1        0.498   1.437   0.479  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.404   1.953   1.232  0.00  0.00    +0.143 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.291   1.266   0.226  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        3.260   1.601  -1.133  0.00  0.00    +0.125 A 
ATOM     18  C   LIG    1        4.074   0.943  -2.054  0.00  0.00    +0.091 A 
ATOM     19  C   LIG    1        4.919  -0.070  -1.615  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        4.959  -0.437  -0.274  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        4.142   0.228   0.642  0.00  0.00    +0.012 A 
BRANCH  17  22
ATOM     22  O   LIG    1        2.408   2.585  -1.553  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1        2.535   2.713  -2.509  0.00  0.00    +0.292 HD
ENDBRANCH  17  22
BRANCH  19  24
ATOM     24  O   LIG    1        5.699  -0.692  -2.544  0.00  0.00    -0.507 OA
ATOM     25  H   LIG    1        6.228  -1.374  -2.097  0.00  0.00    +0.292 HD
ENDBRANCH  19  24
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1  12
BRANCH   7  26
ATOM     26  C   LIG    1       -5.210  -0.254  -1.994  0.00  0.00    +0.340 C 
ATOM     27  O   LIG    1       -5.820  -1.011  -2.728  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -5.317   1.080  -2.099  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1       -5.877   1.220  -2.890  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH   7  26
BRANCH   9  30
ATOM     30  O   LIG    1       -2.610   0.870  -1.353  0.00  0.00    -0.504 OA
ATOM     31  H   LIG    1       -1.765   1.119  -0.926  0.00  0.00    +0.292 HD
ENDBRANCH   9  30
TORSDOF 8