REMARK  Name = BDB028614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.086   1.592   0.365  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -1.432   1.151   0.283  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -1.773   1.383  -1.035  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1       -3.019   1.108  -1.590  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -3.977   0.554  -0.726  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1       -3.654   0.304   0.626  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1       -0.706   1.911  -1.690  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1       -2.383   0.590   1.157  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1        0.359   2.033  -0.814  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        0.674   1.528   1.523  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1        0.255   1.153   2.372  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1        2.186   2.209   1.709  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1        2.091   3.595   1.308  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1        2.600   1.849   3.052  0.00  0.00    -0.150 OA
BRANCH  12  17
ATOM     15  C   LIG    1        3.840  -0.918  -0.266  0.00  0.00    -0.020 A 
ATOM     16  C   LIG    1        3.065  -0.126   0.594  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        3.208   1.273   0.603  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1        4.128   1.885  -0.247  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1        4.910   1.099  -1.098  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        4.756  -0.289  -1.119  0.00  0.00    +0.009 A 
BRANCH  18  21
ATOM     21  O   LIG    1        4.371   3.228  -0.199  0.00  0.00    -0.493 OA
ATOM     22  C   LIG    1        3.827   3.889  -1.343  0.00  0.00    +0.277 C 
ENDBRANCH  18  21
BRANCH  15  23
ATOM     23  C   LIG    1        3.671  -2.418  -0.291  0.00  0.00    +0.194 C 
BRANCH  23  25
ATOM     24  C   LIG    1        5.493  -3.159   1.034  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1        4.926  -3.099  -0.269  0.00  0.00    -0.378 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  12  17
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  26
ATOM     26  O   LIG    1       -1.990   0.365   2.449  0.00  0.00    -0.494 OA
ATOM     27  C   LIG    1       -2.952  -0.216   3.325  0.00  0.00    +0.277 C 
ENDBRANCH   8  26
BRANCH   5  28
ATOM     28  C   LIG    1       -5.360   0.220  -1.243  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -5.571  -1.219  -1.311  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1       -6.168  -1.865  -0.285  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -6.210  -3.135  -0.695  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1       -5.649  -3.306  -1.973  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1       -5.247  -2.047  -2.350  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 9