REMARK  Name = BDB051975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.767  -0.129   1.282  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -1.769   0.924   2.189  0.00  0.00    +0.047 A 
ATOM      3  S   LIG    1       -0.447   0.731   3.277  0.00  0.00    -0.068 S 
ATOM      4  C   LIG    1        0.041  -0.686   2.443  0.00  0.00    +0.117 A 
ATOM      5  N   LIG    1       -0.730  -1.040   1.436  0.00  0.00    -0.240 NA
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -4.523  -0.718  -1.934  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1       -3.153  -0.887  -2.130  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -2.263  -0.692  -1.067  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.728  -0.318   0.201  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.104  -0.166   0.396  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -4.992  -0.360  -0.668  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -5.072  -1.249  -4.185  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -5.498  -0.874  -2.881  0.00  0.00    -0.495 OA
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  C   LIG    1       -2.628   2.104   2.313  0.00  0.00    -0.009 A 
ATOM     15  C   LIG    1       -2.762   2.995   1.239  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -3.591   4.115   1.344  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.292   4.356   2.523  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.167   3.478   3.599  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -3.340   2.358   3.495  0.00  0.00    +0.009 A 
ENDBRANCH   2  14
BRANCH   4  20
ATOM     20  C   LIG    1        1.258  -1.447   2.879  0.00  0.00    +0.291 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.432  -0.666   2.630  0.00  0.00    -0.485 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.009  -0.722   1.392  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        2.487  -1.341   0.258  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1        3.185  -1.312  -0.963  0.00  0.00    -0.005 A 
ATOM     25  C   LIG    1        2.593  -1.988  -2.171  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1        4.425  -0.653  -1.047  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        4.941  -0.027   0.089  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        4.234  -0.063   1.295  0.00  0.00    +0.049 A 
BRANCH  26  29
ATOM     29  O   LIG    1        5.025  -0.681  -2.277  0.00  0.00    -0.481 OA
BRANCH  29  30
ATOM     30  C   LIG    1        6.322  -0.126  -2.414  0.00  0.00    +0.349 C 
BRANCH  30  31
ATOM     31  C   LIG    1        7.448  -0.937  -1.796  0.00  0.00    +0.343 C 
ATOM     32  O   LIG    1        8.360  -0.491  -1.115  0.00  0.00    -0.247 OA
BRANCH  31  33
ATOM     33  O   LIG    1        7.397  -2.251  -2.093  0.00  0.00    -0.478 OA
ATOM     34  H   LIG    1        8.159  -2.641  -1.617  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 10