REMARK  Name = BDB065340
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.184  -1.127   1.528  0.00  0.00    +0.185 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.625   0.108   1.891  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1       -0.291   0.857   2.812  0.00  0.00    -0.291 OA
BRANCH   2   8
ATOM      4  C   LIG    1       -3.629   2.004   0.604  0.00  0.00    +0.166 A 
ATOM      5  C   LIG    1       -4.196   1.058  -0.266  0.00  0.00    +0.204 A 
ATOM      6  C   LIG    1       -3.601  -0.200  -0.469  0.00  0.00    +0.166 A 
ATOM      7  C   LIG    1       -2.438  -0.523   0.236  0.00  0.00    +0.061 A 
ATOM      8  C   LIG    1       -1.868   0.408   1.116  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -2.468   1.665   1.299  0.00  0.00    +0.061 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -3.679   4.216   1.503  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -4.282   3.204   0.706  0.00  0.00    -0.491 OA
ENDBRANCH   4  11
BRANCH   5  12
ATOM     12  O   LIG    1       -5.315   1.395  -0.996  0.00  0.00    -0.488 OA
ATOM     13  C   LIG    1       -6.492   1.062  -0.263  0.00  0.00    +0.277 C 
ENDBRANCH   5  12
BRANCH   6  14
ATOM     14  O   LIG    1       -4.238  -1.034  -1.351  0.00  0.00    -0.491 OA
ATOM     15  C   LIG    1       -3.581  -2.237  -1.722  0.00  0.00    +0.277 C 
ENDBRANCH   6  14
ENDBRANCH   2   8
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  N   LIG    1        1.469  -1.066   2.224  0.00  0.00    -0.182 NA
ATOM     17  H   LIG    1        1.498  -0.585   3.127  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.582  -2.281   1.992  0.00  0.00    +0.059 S 
ATOM     19  O   LIG    1        3.559  -2.171   3.051  0.00  0.00    -0.153 OA
ATOM     20  O   LIG    1        1.847  -3.503   1.744  0.00  0.00    -0.153 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.366  -1.775   0.485  0.00  0.00    +0.106 A 
ATOM     22  C   LIG    1        4.093  -0.580   0.470  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        4.713  -0.151  -0.713  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        4.599  -0.939  -1.883  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1        5.220  -0.505  -3.065  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        5.943   0.689  -3.093  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.054   1.464  -1.942  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        3.870  -2.140  -1.841  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        5.444   1.047  -0.758  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        3.255  -2.561  -0.661  0.00  0.00    +0.029 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 8