REMARK  Name = BDB003552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.385   1.017   0.158  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        2.130  -0.132   0.925  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        0.867  -0.741   0.909  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -0.163  -0.175   0.158  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        0.080   0.967  -0.617  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.345   1.558  -0.612  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        4.812   1.133  -0.567  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        3.716   1.644   0.164  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1        3.909   2.806   0.937  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        5.147   3.448   0.982  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.217   2.943   0.250  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.049   1.794  -0.523  0.00  0.00    +0.015 A 
BRANCH   7  14
ATOM     13  C   LIG    1        5.645  -1.481  -0.597  0.00  0.00    +0.090 C 
ATOM     14  S   LIG    1        4.678  -0.327  -1.605  0.00  0.00    -0.128 S 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1        0.604  -2.177   1.916  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1        1.802  -2.347   2.722  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1       -0.678  -2.030   2.576  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1        0.547  -3.547   0.794  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1       -1.501  -0.774   0.063  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1       -2.542  -0.226   0.802  0.00  0.00    -0.300 N 
ATOM     21  C   LIG    1       -2.391   0.838   1.790  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1       -1.619  -1.714  -0.717  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.876  -0.810   0.664  0.00  0.00    +0.113 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.754  -0.026  -0.305  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1       -4.339  -0.139  -1.761  0.00  0.00    +0.165 C 
ATOM     26  O   LIG    1       -5.507   0.191  -2.532  0.00  0.00    -0.379 OA
ATOM     27  C   LIG    1       -6.658   0.071  -1.683  0.00  0.00    +0.160 C 
ATOM     28  C   LIG    1       -6.181  -0.528  -0.375  0.00  0.00    +0.035 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6