REMARK  Name = BDB003542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.226  -0.169  -0.062  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        2.953   1.078   0.525  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        1.635   1.484   0.810  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1        0.577   0.640   0.480  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        0.837  -0.614  -0.096  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        2.147  -1.007  -0.373  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        5.564  -0.880   0.642  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        4.609  -0.586  -0.357  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1        5.004  -0.692  -1.706  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        6.301  -1.068  -2.058  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        7.235  -1.343  -1.066  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.870  -1.247   0.276  0.00  0.00    +0.015 A 
BRANCH   7  14
ATOM     13  C   LIG    1        4.405  -2.410   2.601  0.00  0.00    +0.090 C 
ATOM     14  S   LIG    1        5.218  -0.804   2.402  0.00  0.00    -0.128 S 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1        1.443   3.087   1.550  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1        1.348   2.895   2.982  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1        2.516   3.898   0.995  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1       -0.041   3.850   0.970  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1       -0.829   0.951   0.773  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1       -1.708   1.149  -0.294  0.00  0.00    -0.300 N 
ATOM     21  C   LIG    1       -1.297   1.224  -1.693  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1       -1.148   1.031   1.953  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.139   1.262  -0.000  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.022   0.185  -0.656  0.00  0.00    +0.076 C 
ATOM     25  C   LIG    1       -3.733  -1.213  -0.106  0.00  0.00    +0.253 C 
ATOM     26  F   LIG    1       -2.459  -1.581  -0.396  0.00  0.00    -0.205 F 
ATOM     27  F   LIG    1       -3.848  -1.214   1.245  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -4.670  -2.271  -0.674  0.00  0.00    +0.076 C 
ATOM     29  C   LIG    1       -6.134  -1.899  -0.469  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -6.437  -0.514  -1.029  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -5.504   0.545  -0.445  0.00  0.00    +0.011 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6