REMARK  Name = BDB046330
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.526  -1.912   1.044  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -1.218  -0.796   0.619  0.00  0.00    +0.230 C 
ATOM      3  N   LIG    1        0.090  -0.539   0.185  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        0.994  -1.685   0.162  0.00  0.00    +0.161 C 
ATOM      5  C   LIG    1        2.449  -1.287   0.026  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        3.361  -2.313   0.147  0.00  0.00    -0.324 N 
ATOM      7  H   LIG    1        3.040  -3.261   0.311  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1        4.725  -2.177   0.066  0.00  0.00    +0.257 A 
ATOM      9  C   LIG    1        5.235  -0.802  -0.140  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        4.321   0.260  -0.254  0.00  0.00    -0.008 A 
ATOM     11  C   LIG    1        4.842   1.553  -0.416  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        6.224   1.772  -0.478  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        7.111   0.704  -0.374  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        6.618  -0.587  -0.203  0.00  0.00    +0.014 A 
ATOM     15  O   LIG    1        5.474  -3.142   0.166  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1        2.867  -0.023  -0.190  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1        1.871   1.093  -0.364  0.00  0.00    +0.056 C 
ATOM     18  C   LIG    1        0.458   0.587  -0.666  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   2  19
ATOM     19  C   LIG    1       -2.212   0.384   0.538  0.00  0.00    +0.180 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.533   0.113   1.151  0.00  0.00    -0.294 NA
ATOM     21  C   LIG    1       -4.262  -0.953   0.436  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1       -5.779  -0.844   0.587  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1       -6.301   0.474   0.018  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -5.284   1.605   0.155  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1       -4.316   1.348   1.307  0.00  0.00    +0.085 C 
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 2