REMARK  Name = BDB012241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.256  -3.113  -0.056  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.385  -2.293   0.846  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1        0.547  -1.311   1.122  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1        0.279  -0.567   1.753  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.712  -1.106   0.275  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1        2.830  -0.423   1.068  0.00  0.00    +0.026 C 
ATOM      7  C   LIG    1        4.048  -0.138   0.195  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1        3.679   0.696  -1.040  0.00  0.00    +0.175 C 
ATOM      9  C   LIG    1        2.569  -0.004  -1.834  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1        1.344  -0.291  -0.972  0.00  0.00    +0.026 C 
BRANCH   8  11
ATOM     11  O   LIG    1        4.805   0.810  -1.917  0.00  0.00    -0.473 OA
BRANCH  11  12
ATOM     12  C   LIG    1        5.692   1.823  -1.613  0.00  0.00    +0.215 A 
ATOM     13  N   LIG    1        5.472   2.626  -0.551  0.00  0.00    -0.221 NA
ATOM     14  C   LIG    1        6.395   3.584  -0.317  0.00  0.00    +0.114 A 
ATOM     15  C   LIG    1        7.527   3.776  -1.094  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        7.726   2.934  -2.183  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1        6.792   1.937  -2.449  0.00  0.00    +0.067 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1       -1.572  -2.257   1.785  0.00  0.00    +0.107 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.577  -3.346   1.430  0.00  0.00    +0.086 C 
BRANCH  19  20
ATOM     20  S   LIG    1       -4.016  -3.317   2.544  0.00  0.00    -0.087 S 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.974  -2.054   1.836  0.00  0.00    +0.170 A 
ATOM     22  N   LIG    1       -6.210  -1.974   2.398  0.00  0.00    -0.301 N 
ATOM     23  H   LIG    1       -6.458  -2.618   3.134  0.00  0.00    +0.171 HD
ATOM     24  C   LIG    1       -7.143  -1.047   2.018  0.00  0.00    +0.260 A 
ATOM     25  O   LIG    1       -8.248  -0.975   2.542  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1       -6.726  -0.137   0.936  0.00  0.00    +0.065 A 
ATOM     27  C   LIG    1       -5.436  -0.300   0.418  0.00  0.00    +0.079 A 
ATOM     28  C   LIG    1       -5.017   0.548  -0.608  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -5.869   1.541  -1.102  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -7.152   1.693  -0.573  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -7.586   0.852   0.451  0.00  0.00    +0.015 A 
ATOM     32  N   LIG    1       -4.550  -1.282   0.894  0.00  0.00    -0.223 NA
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 7