REMARK  Name = BDB060637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.440  -0.055   0.230  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.403   0.853   0.875  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.784   0.850   0.631  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        2.383  -0.054  -0.259  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.518  -0.951  -0.905  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        0.136  -0.955  -0.670  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.746  -0.056  -0.501  0.00  0.00    -0.327 N 
ATOM      8  C   LIG    1        4.438  -1.273  -0.962  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1        5.878  -1.340  -0.421  0.00  0.00    +0.128 C 
ATOM     10  N   LIG    1        6.704  -0.148  -0.824  0.00  0.00    -0.178 NA
ATOM     11  C   LIG    1        5.880   1.094  -1.006  0.00  0.00    +0.128 C 
ATOM     12  C   LIG    1        4.600   1.089  -0.150  0.00  0.00    +0.122 C 
BRANCH  10  13
ATOM     13  S   LIG    1        8.114   0.030   0.107  0.00  0.00    +0.029 S 
ATOM     14  O   LIG    1        8.694  -1.284   0.288  0.00  0.00    -0.158 OA
ATOM     15  O   LIG    1        7.789   0.873   1.238  0.00  0.00    -0.158 OA
ATOM     16  C   LIG    1        9.169   0.935  -1.007  0.00  0.00    +0.215 C 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     17  C   LIG    1       -2.505  -1.376   1.064  0.00  0.00    +0.079 C 
ATOM     18  C   LIG    1       -1.931  -0.040   0.504  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1       -2.771   0.239  -0.768  0.00  0.00    +0.094 C 
ATOM     20  N   LIG    1       -3.594  -0.955  -0.956  0.00  0.00    -0.296 NA
ATOM     21  C   LIG    1       -3.888  -1.460   0.383  0.00  0.00    +0.104 C 
BRANCH  17  23
ATOM     22  C   LIG    1       -1.191  -1.835   3.062  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1       -2.534  -1.601   2.527  0.00  0.00    -0.304 NA
ATOM     24  C   LIG    1       -3.206  -0.561   3.302  0.00  0.00    +0.104 C 
ENDBRANCH  17  23
BRANCH  20  25
ATOM     25  C   LIG    1       -4.733  -0.821  -1.860  0.00  0.00    +0.119 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.830   0.142  -1.458  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -6.899  -0.286  -0.656  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -7.912   0.601  -0.289  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.872   1.924  -0.722  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.821   2.362  -1.524  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.807   1.476  -1.893  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  20  25
ENDBRANCH   1  18
TORSDOF 6