REMARK  Name = BDB049528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.088  -0.763   0.202  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.674   0.469   0.488  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        1.962   0.763   0.023  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1        2.679  -0.176  -0.726  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1        2.086  -1.406  -1.021  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        0.800  -1.696  -0.556  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.021   0.116  -1.239  0.00  0.00    +0.028 C 
ATOM      8  C   LIG    1        5.116   0.343  -0.502  0.00  0.00    +0.080 C 
ATOM      9  C   LIG    1        6.438   0.615  -1.127  0.00  0.00    +0.258 C 
ATOM     10  O   LIG    1        6.655   0.671  -2.327  0.00  0.00    -0.269 OA
ATOM     11  N   LIG    1        7.379   0.792  -0.158  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1        8.338   0.986  -0.394  0.00  0.00    +0.159 HD
ATOM     13  C   LIG    1        6.989   0.694   1.137  0.00  0.00    +0.283 C 
ATOM     14  O   LIG    1        7.709   0.826   2.112  0.00  0.00    -0.262 OA
ATOM     15  S   LIG    1        5.274   0.347   1.215  0.00  0.00    -0.026 S 
ENDBRANCH   4   7
BRANCH   1  16
ATOM     16  O   LIG    1       -1.155  -1.175   0.593  0.00  0.00    -0.490 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.925  -0.265   1.388  0.00  0.00    +0.248 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.279  -0.910   1.723  0.00  0.00    +0.147 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -3.963  -1.919  -0.449  0.00  0.00    +0.131 C 
ATOM     20  N   LIG    1       -4.207  -0.917   0.579  0.00  0.00    -0.309 N 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.831   0.261   0.270  0.00  0.00    +0.160 A 
ATOM     22  S   LIG    1       -5.809   0.492  -1.149  0.00  0.00    -0.061 S 
ATOM     23  C   LIG    1       -6.126   2.106  -0.688  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1       -5.487   2.378   0.497  0.00  0.00    +0.120 A 
ATOM     25  N   LIG    1       -4.759   1.336   1.032  0.00  0.00    -0.233 NA
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6