REMARK  Name = BDB050673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.552   1.630  -0.344  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1       -1.589   0.785  -0.245  0.00  0.00    -0.187 NA
ATOM      3  C   LIG    1       -1.340  -0.380   0.375  0.00  0.00    +0.222 A 
ATOM      4  C   LIG    1       -0.119  -0.728   0.890  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.868   0.208   0.721  0.00  0.00    +0.222 A 
ATOM      6  N   LIG    1        0.685   1.386   0.106  0.00  0.00    -0.187 NA
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1       -0.798   3.182  -1.172  0.00  0.00    -0.075 S 
BRANCH   7   8
ATOM      8  C   LIG    1       -2.609   3.300  -1.089  0.00  0.00    +0.197 C 
BRANCH   8  10
ATOM      9  O   LIG    1       -2.511   3.603   1.355  0.00  0.00    -0.250 OA
ATOM     10  C   LIG    1       -3.122   3.347   0.331  0.00  0.00    +0.315 C 
BRANCH  10  11
ATOM     11  O   LIG    1       -4.453   3.111   0.392  0.00  0.00    -0.480 OA
ATOM     12  H   LIG    1       -4.653   3.191   1.349  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   3  13
ATOM     13  O   LIG    1       -2.354  -1.302   0.538  0.00  0.00    -0.476 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -3.579  -0.929  -0.104  0.00  0.00    +0.235 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.609  -2.042   0.097  0.00  0.00    +0.076 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.332  -3.251  -0.766  0.00  0.00    -0.044 A 
ATOM     17  C   LIG    1       -3.477  -4.266  -0.316  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -3.208  -5.374  -1.121  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -3.789  -5.477  -2.383  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.638  -4.472  -2.843  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.907  -3.362  -2.040  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   5  22
ATOM     22  O   LIG    1        2.111  -0.121   1.226  0.00  0.00    -0.476 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.095   0.902   1.032  0.00  0.00    +0.235 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.406   0.411   1.645  0.00  0.00    +0.076 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.521   1.412   1.492  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1        5.716   2.411   2.455  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        6.737   3.351   2.302  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.568   3.303   1.184  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.379   2.316   0.218  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.358   1.376   0.369  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 12