REMARK  Name = BDB048235
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.613  -0.375   0.363  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        0.288  -0.230   0.813  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.802  -0.407  -0.070  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.522  -0.724  -1.399  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -1.723  -0.847  -2.055  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -1.818  -1.080  -3.033  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -2.774  -0.627  -1.200  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -4.158  -0.653  -1.429  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -4.929  -0.899  -2.698  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -6.330  -1.197  -2.144  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -6.460  -0.420  -0.825  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -5.038  -0.378  -0.372  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -4.525  -0.081   0.863  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -5.184   0.259   2.121  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -6.382   0.342   2.300  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -4.191   0.460   3.027  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -4.355   0.714   3.988  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -2.951   0.286   2.491  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1       -1.892   0.403   3.075  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -3.151  -0.064   1.086  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        0.779  -0.872  -1.886  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -2.228  -0.337   0.063  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        1.834  -0.693  -0.983  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  27
ATOM     24  C   LIG    1        4.932  -0.106   1.744  0.00  0.00    +0.094 A 
ATOM     25  S   LIG    1        4.253   0.199   3.289  0.00  0.00    -0.079 S 
ATOM     26  C   LIG    1        2.683   0.064   2.612  0.00  0.00    +0.075 A 
ATOM     27  C   LIG    1        2.761  -0.201   1.257  0.00  0.00    +0.078 A 
ATOM     28  N   LIG    1        4.062  -0.298   0.771  0.00  0.00    -0.243 NA
BRANCH  24  29
ATOM     29  C   LIG    1        6.423  -0.135   1.566  0.00  0.00    +0.168 C 
BRANCH  29  30
ATOM     30  N   LIG    1        6.747  -0.225   0.132  0.00  0.00    -0.188 NA
ATOM     31  H   LIG    1        6.104  -0.822  -0.393  0.00  0.00    +0.148 HD
BRANCH  30  33
ATOM     32  C   LIG    1        5.643   2.111  -0.707  0.00  0.00    +0.214 C 
ATOM     33  S   LIG    1        7.157   1.171  -0.685  0.00  0.00    +0.027 S 
ATOM     34  O   LIG    1        7.445   0.773  -2.045  0.00  0.00    -0.158 OA
ATOM     35  O   LIG    1        8.126   1.885   0.117  0.00  0.00    -0.158 OA
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH  24  29
ENDBRANCH   1  27
TORSDOF 4