REMARK  Name = BDB002286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.082  -0.160  -0.434  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1        0.627   1.034  -0.557  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.997   1.080  -0.265  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.689  -0.066   0.149  0.00  0.00    +0.003 A 
ATOM      5  C   LIG    1        1.971  -1.261   0.277  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.600  -1.306  -0.012  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.116   0.021   0.443  0.00  0.00    +0.102 A 
ATOM      8  N   LIG    1        4.717   1.243   0.734  0.00  0.00    -0.141 NA
ATOM      9  N   LIG    1        6.013   1.120   0.966  0.00  0.00    -0.110 NA
ATOM     10  S   LIG    1        6.549  -0.456   0.830  0.00  0.00    +0.029 S 
ATOM     11  C   LIG    1        4.988  -1.056   0.442  0.00  0.00    +0.097 A 
ENDBRANCH   4   7
BRANCH   1  14
ATOM     12  O   LIG    1       -2.076   1.854  -1.403  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -2.324   0.688  -1.139  0.00  0.00    +0.220 C 
ATOM     14  N   LIG    1       -1.458  -0.291  -0.705  0.00  0.00    -0.285 N 
ATOM     15  H   LIG    1       -1.861  -1.208  -0.566  0.00  0.00    +0.155 HD
BRANCH  13  16
ATOM     16  C   LIG    1       -3.716   0.187  -1.319  0.00  0.00    +0.075 C 
ATOM     17  C   LIG    1       -4.463  -0.486  -0.190  0.00  0.00    +0.013 C 
ATOM     18  C   LIG    1       -4.857   0.894  -0.625  0.00  0.00    +0.013 C 
ENDBRANCH  13  16
ENDBRANCH   1  14
TORSDOF 3