REMARK  Name = BDB050017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.687   0.143   0.528  0.00  0.00    +0.219 C 
ATOM      2  N   LIG    1       -0.170  -0.091  -0.524  0.00  0.00    -0.265 N 
ATOM      3  H   LIG    1        0.202  -0.284  -1.443  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        0.388   0.389   1.691  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.540  -0.099  -0.496  0.00  0.00    +0.165 A 
ATOM      6  S   LIG    1       -2.451   0.195   0.917  0.00  0.00    -0.057 S 
ATOM      7  C   LIG    1       -3.880  -0.009   0.020  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1       -5.253   0.078   0.591  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -6.288   0.198  -0.544  0.00  0.00    +0.006 C 
ATOM     10  C   LIG    1       -5.995  -0.770  -1.704  0.00  0.00    +0.006 C 
ATOM     11  C   LIG    1       -4.617  -0.508  -2.340  0.00  0.00    +0.056 C 
ATOM     12  C   LIG    1       -3.576  -0.294  -1.294  0.00  0.00    +0.054 A 
ATOM     13  N   LIG    1       -2.230  -0.341  -1.589  0.00  0.00    -0.229 NA
ENDBRANCH   2   5
BRANCH   1  14
ATOM     14  C   LIG    1        2.135   0.062   0.082  0.00  0.00    +0.107 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.102   0.320   1.232  0.00  0.00    +0.130 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.530   0.235   0.764  0.00  0.00    +0.308 C 
ATOM     17  O   LIG    1        4.879  -0.009  -0.383  0.00  0.00    -0.251 OA
BRANCH  16  18
ATOM     18  O   LIG    1        5.369   0.474   1.810  0.00  0.00    -0.465 OA
BRANCH  18  20
ATOM     19  C   LIG    1        7.253   1.774   1.020  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        6.772   0.422   1.514  0.00  0.00    +0.229 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 6