REMARK  Name = BDB003560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.903   0.100   0.696  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        2.592  -1.269   0.711  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        1.260  -1.715   0.661  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1        0.231  -0.778   0.579  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        0.528   0.594   0.599  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.853   1.027   0.653  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        5.011   0.976  -0.403  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        4.303   0.549   0.742  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1        4.969   0.550   1.983  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        6.300   0.957   2.090  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.992   1.365   0.955  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.354   1.370  -0.285  0.00  0.00    +0.015 A 
BRANCH   7  14
ATOM     13  C   LIG    1        4.227   2.776  -2.325  0.00  0.00    +0.090 C 
ATOM     14  S   LIG    1        4.268   0.987  -2.040  0.00  0.00    -0.128 S 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1        0.996  -3.471   0.699  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1        0.602  -3.817   2.049  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1        2.194  -4.062   0.123  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1       -0.307  -3.893  -0.418  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1       -1.191  -1.146   0.529  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1       -1.898  -0.925  -0.653  0.00  0.00    -0.300 N 
ATOM     21  C   LIG    1       -1.324  -0.341  -1.863  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1       -1.680  -1.635   1.540  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.347  -1.140  -0.644  0.00  0.00    +0.111 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.160   0.155  -0.487  0.00  0.00    +0.011 C 
ATOM     25  C   LIG    1       -3.956   0.832   0.870  0.00  0.00    +0.033 C 
ATOM     26  C   LIG    1       -4.781   2.116   0.975  0.00  0.00    +0.160 C 
ATOM     27  O   LIG    1       -5.900   2.142   0.088  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1       -6.553   0.880   0.012  0.00  0.00    +0.160 C 
ATOM     29  C   LIG    1       -5.658  -0.130  -0.700  0.00  0.00    +0.033 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6