REMARK  Name = BDB041510
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.226   0.232  -1.736  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1       -0.259   1.536  -1.572  0.00  0.00    -0.180 N 
ATOM      3  H   LIG    1        0.378   2.226  -1.176  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.462  -0.737  -2.015  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.671   1.233  -0.903  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        4.412   0.048  -1.040  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1        3.721  -1.108  -1.451  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        2.351  -1.072  -1.685  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        1.702   0.135  -1.511  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1        2.331   1.283  -1.132  0.00  0.00    -0.247 NA
BRANCH   5  12
ATOM     11  C   LIG    1        4.317   2.710   1.025  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1        4.272   2.553  -0.486  0.00  0.00    +0.052 C 
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        5.901  -0.033  -0.797  0.00  0.00    +0.180 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.237  -0.967   0.274  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.086  -0.601   1.563  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.504  -1.668   2.247  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.945  -2.705   1.406  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.773  -2.218   0.132  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -1.852   1.984  -1.599  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -1.899   3.333  -1.067  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.339   1.712  -2.934  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -2.630   0.941  -0.412  0.00  0.00    +0.192 A 
ATOM     23  C   LIG    1       -3.790   0.244  -0.709  0.00  0.00    +0.154 A 
ATOM     24  O   LIG    1       -4.487   0.319  -1.893  0.00  0.00    -0.489 OA
ATOM     25  C   LIG    1       -5.505  -0.719  -1.867  0.00  0.00    +0.240 C 
ATOM     26  C   LIG    1       -5.684  -1.209  -0.423  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1       -7.069  -0.913   0.224  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1       -7.022  -2.321   0.844  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -6.020  -2.716  -0.257  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -4.416  -0.604   0.210  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1       -3.848  -0.764   1.472  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1       -2.685  -0.064   1.801  0.00  0.00    +0.048 A 
ATOM     33  C   LIG    1       -2.091   0.804   0.872  0.00  0.00    +0.150 A 
BRANCH  33  34
ATOM     34  O   LIG    1       -0.937   1.453   1.226  0.00  0.00    -0.493 OA
ATOM     35  C   LIG    1       -1.206   2.502   2.159  0.00  0.00    +0.277 C 
ENDBRANCH  33  34
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 7