REMARK  Name = BDB064036
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.490  -0.213   0.652  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.700  -0.770   1.865  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.572  -1.007   2.296  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.492  -0.910   2.499  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.708  -1.351   3.610  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.451  -0.380   1.495  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.768  -0.333   1.732  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.756   0.037   0.380  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.810   0.183   0.829  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.942   0.786   1.404  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.967   1.255   0.561  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.898   1.128  -0.827  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.983   1.635  -1.526  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.851   2.137  -0.679  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.767   0.508  -1.391  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.445   2.038   0.981  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.741   0.039  -0.559  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.495   0.071  -0.211  0.00  0.00    -0.303 N 
ATOM     19  H   LIG    1       -1.139   0.387  -1.116  0.00  0.00    +0.150 HD
BRANCH  18  24
ATOM     20  C   LIG    1       -5.921   0.627  -2.054  0.00  0.00    +0.132 C 
ATOM     21  N   LIG    1       -4.858   0.281  -1.139  0.00  0.00    -0.303 N 
ATOM     22  C   LIG    1       -3.553   0.016  -1.534  0.00  0.00    +0.239 C 
ATOM     23  O   LIG    1       -3.079   0.189  -2.647  0.00  0.00    -0.273 OA
ATOM     24  C   LIG    1       -2.797  -0.576  -0.326  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1       -2.660  -2.084  -0.536  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -3.735  -0.210   0.834  0.00  0.00    +0.054 C 
ATOM     27  C   LIG    1       -5.116  -0.166   0.201  0.00  0.00    +0.110 C 
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 3