REMARK  Name = BDB050019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.759  -0.076   1.152  0.00  0.00    +0.084 A 
ATOM      2  N   LIG    1        0.453  -0.268   0.501  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1        1.439  -0.399   1.365  0.00  0.00    +0.193 A 
ATOM      4  S   LIG    1        0.940  -0.343   3.021  0.00  0.00    -0.056 S 
ATOM      5  C   LIG    1       -0.682  -0.115   2.529  0.00  0.00    +0.077 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -4.321   0.247  -1.196  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1       -4.192   1.014  -0.031  0.00  0.00    +0.092 A 
ATOM      8  C   LIG    1       -3.043   0.946   0.770  0.00  0.00    +0.133 A 
ATOM      9  C   LIG    1       -1.999   0.078   0.392  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1       -2.135  -0.683  -0.782  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -3.288  -0.604  -1.568  0.00  0.00    +0.046 A 
BRANCH   6  12
ATOM     12  O   LIG    1       -5.502   0.427  -1.860  0.00  0.00    -0.492 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -6.279  -1.590  -2.961  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1       -5.685  -0.202  -3.128  0.00  0.00    +0.225 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  15
ATOM     15  O   LIG    1       -2.848   1.700   1.898  0.00  0.00    -0.491 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -3.884   2.557   2.376  0.00  0.00    +0.226 C 
ATOM     17  C   LIG    1       -3.801   3.925   1.722  0.00  0.00    +0.048 C 
ENDBRANCH  15  16
ENDBRANCH   8  15
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  N   LIG    1        2.758  -0.582   1.111  0.00  0.00    -0.229 NA
ATOM     19  C   LIG    1        3.093  -0.476  -0.130  0.00  0.00    +0.123 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.480  -0.655  -0.518  0.00  0.00    +0.018 A 
ATOM     21  C   LIG    1        5.630  -0.956   0.284  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        6.731  -1.025  -0.573  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        8.029  -1.302  -0.126  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        8.212  -1.518   1.243  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        7.138  -1.458   2.126  0.00  0.00    +0.001 A 
ATOM     26  N   LIG    1        6.272  -0.776  -1.845  0.00  0.00    -0.360 N 
ATOM     27  H   LIG    1        6.856  -0.761  -2.670  0.00  0.00    +0.165 HD
ATOM     28  C   LIG    1        5.848  -1.179   1.661  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        4.922  -0.553  -1.826  0.00  0.00    +0.093 A 
ENDBRANCH  19  20
ENDBRANCH   3  18
TORSDOF 7