REMARK  Name = BDB002203
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.604  -2.112   1.341  0.00  0.00    -0.088 S 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -3.254  -1.883   0.891  0.00  0.00    +0.170 A 
ATOM      3  N   LIG    1       -1.943  -1.388   0.841  0.00  0.00    -0.212 NA
ATOM      4  C   LIG    1       -1.123  -2.323   1.259  0.00  0.00    +0.155 A 
ATOM      5  S   LIG    1       -1.938  -3.763   1.687  0.00  0.00    +0.041 S 
ATOM      6  N   LIG    1       -3.439  -3.142   1.314  0.00  0.00    -0.188 NA
BRANCH   2  10
ATOM      7  C   LIG    1       -6.511   0.641  -0.312  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1       -6.746  -0.678   0.080  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -5.690  -1.506   0.474  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -4.373  -1.027   0.481  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -4.145   0.300   0.085  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -5.205   1.129  -0.308  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -7.447   2.693  -1.064  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -7.631   1.339  -0.671  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   2  10
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1        0.723  -0.330   1.009  0.00  0.00    +0.172 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.176   0.113   1.037  0.00  0.00    +0.227 C 
ATOM     17  N   LIG    1        2.932  -0.447   0.017  0.00  0.00    -0.285 N 
ATOM     18  H   LIG    1        2.469  -1.148  -0.549  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        2.570   0.915   1.877  0.00  0.00    -0.275 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.293  -0.215  -0.274  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        5.092   0.701   0.417  0.00  0.00    +0.072 A 
ATOM     22  C   LIG    1        6.411   0.834   0.028  0.00  0.00    +0.168 A 
ATOM     23  O   LIG    1        7.322   1.676   0.590  0.00  0.00    -0.453 OA
ATOM     24  C   LIG    1        8.490   1.383  -0.204  0.00  0.00    +0.466 C 
ATOM     25  O   LIG    1        8.257   0.386  -1.221  0.00  0.00    -0.453 OA
ATOM     26  C   LIG    1        6.946   0.101  -1.003  0.00  0.00    +0.166 A 
ATOM     27  C   LIG    1        6.192  -0.808  -1.707  0.00  0.00    +0.051 A 
ATOM     28  C   LIG    1        4.851  -0.964  -1.335  0.00  0.00    +0.027 A 
ENDBRANCH  17  20
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6