REMARK  Name = BDB054916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.753   0.809   2.322  0.00  0.00    +0.134 A 
ATOM      2  N   LIG    1        0.166   0.424   1.346  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        1.406   0.661   1.728  0.00  0.00    +0.109 A 
ATOM      4  S   LIG    1        1.549   1.342   3.300  0.00  0.00    -0.075 S 
ATOM      5  C   LIG    1       -0.151   1.341   3.453  0.00  0.00    +0.080 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.587   0.341   0.904  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        2.464  -0.626  -0.104  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        3.561  -0.954  -0.918  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1        4.792  -0.318  -0.759  0.00  0.00    +0.118 A 
ATOM     10  C   LIG    1        4.928   0.642   0.249  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        3.835   0.966   1.068  0.00  0.00    +0.012 A 
BRANCH   9  12
ATOM     12  S   LIG    1        6.142  -0.663  -1.853  0.00  0.00    -0.004 S 
ATOM     13  O   LIG    1        6.946  -1.675  -1.202  0.00  0.00    -0.170 OA
ATOM     14  O   LIG    1        5.572  -0.853  -3.171  0.00  0.00    -0.170 OA
ATOM     15  C   LIG    1        7.111   0.817  -1.953  0.00  0.00    +0.200 C 
ENDBRANCH   9  12
BRANCH   8  16
ATOM     16  N   LIG    1        3.363  -2.024  -1.877  0.00  0.00    +0.058 N 
ATOM     17  O   LIG    1        4.033  -3.050  -1.715  0.00  0.00    -0.126 OA
ATOM     18  O   LIG    1        2.477  -1.855  -2.725  0.00  0.00    -0.126 OA
ENDBRANCH   8  16
ENDBRANCH   3   6
BRANCH   1  20
ATOM     19  N   LIG    1       -2.823  -0.043   1.158  0.00  0.00    -0.266 N 
ATOM     20  C   LIG    1       -2.230   0.735   2.190  0.00  0.00    +0.270 C 
ATOM     21  O   LIG    1       -2.903   1.347   3.023  0.00  0.00    -0.268 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -4.233   0.118   0.864  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1       -4.867   1.360   1.041  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -6.220   1.547   0.735  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -6.975   0.492   0.239  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.374  -0.747   0.048  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.018  -0.929   0.355  0.00  0.00    +0.023 A 
ENDBRANCH  19  22
BRANCH  19  28
ATOM     28  C   LIG    1       -2.067  -1.070   0.421  0.00  0.00    +0.114 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -2.591  -0.528  -2.033  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -1.536  -0.595  -0.940  0.00  0.00    +0.016 C 
ENDBRANCH  28  30
ENDBRANCH  19  28
ENDBRANCH   1  20
TORSDOF 7