REMARK  Name = BDB003165
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.316   0.022  -1.128  0.00  0.00    -0.297 N 
ATOM      2  H   LIG    1       -0.430   0.687  -1.034  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1        0.525   2.909  -1.249  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.726   2.006  -1.131  0.00  0.00    -0.029 A 
ATOM      5  C   LIG    1        1.612   0.594  -1.101  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        2.774  -0.171  -0.970  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1        4.027   0.450  -0.902  0.00  0.00    +0.107 A 
ATOM      8  C   LIG    1        4.149   1.835  -0.954  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        2.997   2.609  -1.063  0.00  0.00    +0.007 A 
BRANCH   7  10
ATOM     10  S   LIG    1        5.476  -0.559  -0.715  0.00  0.00    +0.060 S 
ATOM     11  O   LIG    1        5.527  -1.450  -1.852  0.00  0.00    -0.153 OA
ATOM     12  O   LIG    1        6.593   0.303  -0.386  0.00  0.00    -0.153 OA
BRANCH  10  13
ATOM     13  N   LIG    1        5.127  -1.479   0.688  0.00  0.00    -0.183 NA
ATOM     14  C   LIG    1        6.006  -2.660   0.836  0.00  0.00    +0.131 C 
ATOM     15  C   LIG    1        5.041  -0.700   1.942  0.00  0.00    +0.131 C 
ENDBRANCH  10  13
ENDBRANCH   7  10
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -0.131  -1.232  -1.432  0.00  0.00    +0.135 C 
ATOM     17  S   LIG    1        0.675  -2.467  -2.219  0.00  0.00    -0.019 S 
BRANCH  16  18
ATOM     18  N   LIG    1       -1.418  -1.518  -1.076  0.00  0.00    -0.321 N 
ATOM     19  H   LIG    1       -1.667  -2.458  -1.370  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.487  -0.773  -0.381  0.00  0.00    +0.034 C 
ATOM     21  C   LIG    1       -2.034  -0.227   0.996  0.00  0.00    +0.029 C 
ATOM     22  C   LIG    1       -3.199   0.485   1.707  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1       -3.704   1.637   0.820  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1       -4.204   1.091  -0.528  0.00  0.00    -0.008 C 
ATOM     25  C   LIG    1       -5.339   0.086  -0.278  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -4.830  -1.071   0.595  0.00  0.00    -0.008 C 
ATOM     27  C   LIG    1       -4.340  -0.516   1.940  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -3.046   0.380  -1.250  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1       -3.660  -1.765  -0.121  0.00  0.00    +0.029 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6