REMARK  Name = BDB051986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.706  -0.564  -0.786  0.00  0.00    -0.485 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.047  -0.428  -0.561  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1       -2.735  -0.815   0.589  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -4.125  -0.618   0.692  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1       -4.847  -1.044   1.942  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -4.828  -0.024  -0.371  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1       -4.134   0.364  -1.519  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -2.754   0.162  -1.608  0.00  0.00    +0.049 A 
BRANCH   6   9
ATOM      9  O   LIG    1       -6.175   0.127  -0.179  0.00  0.00    -0.481 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -6.925   0.739  -1.220  0.00  0.00    +0.349 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -8.387   0.827  -0.827  0.00  0.00    +0.343 C 
ATOM     12  O   LIG    1       -8.916   0.451   0.206  0.00  0.00    -0.247 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -9.136   1.406  -1.793  0.00  0.00    -0.478 OA
ATOM     14  H   LIG    1      -10.041   1.400  -1.415  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        0.063  -1.201   0.235  0.00  0.00    +0.291 C 
BRANCH  15  18
ATOM     16  C   LIG    1        3.668  -0.852  -0.372  0.00  0.00    +0.079 A 
ATOM     17  N   LIG    1        2.476  -0.565   0.282  0.00  0.00    -0.241 NA
ATOM     18  C   LIG    1        1.484  -1.257  -0.242  0.00  0.00    +0.116 A 
ATOM     19  S   LIG    1        1.926  -2.305  -1.534  0.00  0.00    -0.077 S 
ATOM     20  C   LIG    1        3.549  -1.771  -1.396  0.00  0.00    +0.075 A 
BRANCH  16  25
ATOM     21  C   LIG    1        8.540   1.824   1.245  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        7.284   1.138   0.799  0.00  0.00    -0.050 A 
ATOM     23  C   LIG    1        7.345  -0.051   0.065  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        6.172  -0.709  -0.325  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        4.914  -0.194   0.017  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.862   0.986   0.772  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        6.032   1.645   1.162  0.00  0.00    +0.004 A 
ENDBRANCH  16  25
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 8