REMARK  Name = BDB060657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.070   0.751   0.467  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.146   1.185  -0.069  0.00  0.00    -0.290 N 
ATOM      3  O   LIG    1        1.675   1.334   1.364  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1        2.982  -2.749  -1.066  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        2.635  -1.708  -1.937  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        2.003  -0.562  -1.445  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        1.703  -0.468  -0.081  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        2.074  -1.492   0.797  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        2.705  -2.636   0.302  0.00  0.00    +0.019 A 
BRANCH   4  11
ATOM     10  N   LIG    1        4.152  -4.874  -1.987  0.00  0.00    -0.191 NA
ATOM     11  C   LIG    1        3.632  -3.923  -1.574  0.00  0.00    +0.099 C 
ENDBRANCH   4  11
ENDBRANCH   1   7
BRANCH   2  12
ATOM     12  C   LIG    1       -0.673   2.454   0.394  0.00  0.00    +0.077 C 
ATOM     13  C   LIG    1       -1.306   3.448  -0.546  0.00  0.00    +0.024 C 
ATOM     14  C   LIG    1        0.029   3.746   0.061  0.00  0.00    +0.024 C 
ENDBRANCH   2  12
BRANCH   2  15
ATOM     15  C   LIG    1       -1.101   0.291  -0.744  0.00  0.00    +0.150 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.150  -0.186   0.222  0.00  0.00    +0.007 A 
ATOM     17  S   LIG    1       -3.802   0.185  -0.059  0.00  0.00    -0.100 S 
ATOM     18  C   LIG    1       -4.297  -0.644   1.351  0.00  0.00    +0.045 A 
ATOM     19  C   LIG    1       -3.233  -1.200   2.023  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -1.994  -0.939   1.371  0.00  0.00    +0.013 A 
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 5