REMARK  Name = BDB048779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.158  -1.311  -1.094  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -0.496  -2.728   1.795  0.00  0.00    +0.053 C 
ATOM      3  C   LIG    1        0.711  -2.086   1.207  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        0.872  -1.479  -0.026  0.00  0.00    +0.055 A 
ATOM      5  N   LIG    1        2.141  -0.979  -0.262  0.00  0.00    -0.244 NA
ATOM      6  C   LIG    1        2.942  -1.199   0.765  0.00  0.00    +0.109 A 
ATOM      7  S   LIG    1        2.184  -2.024   2.074  0.00  0.00    -0.072 S 
BRANCH   6   8
ATOM      8  C   LIG    1        4.360  -0.783   0.806  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1        4.913  -0.156  -0.323  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        6.249   0.262  -0.346  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        7.078   0.066   0.764  0.00  0.00    -0.045 A 
ATOM     12  C   LIG    1        6.535  -0.558   1.894  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        5.197  -0.975   1.915  0.00  0.00    +0.011 A 
BRANCH  11  14
ATOM     14  C   LIG    1        8.530   0.508   0.767  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1        9.343  -0.220  -0.306  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1        8.655   2.026   0.610  0.00  0.00    +0.012 C 
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1       -0.503   0.158  -1.333  0.00  0.00    +0.235 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.606   0.284  -2.235  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -2.877   0.223  -1.731  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1       -3.225   0.045  -0.391  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1       -4.573   0.006  -0.055  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1       -5.163  -0.217   1.303  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1       -6.595   0.287   1.085  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1       -6.941   0.005  -0.396  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1       -5.575   0.130  -1.024  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1       -5.240   0.288  -2.358  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -3.886   0.342  -2.702  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -7.980   0.974  -0.958  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -9.340   0.772  -0.336  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1       -9.656  -0.158   0.388  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1      -10.216   1.742  -0.688  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1       -9.840   2.421  -1.281  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9