REMARK  Name = BDB033496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.939   0.952  -2.882  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1        1.355   0.964  -3.816  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.568  -0.013  -2.032  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.765   0.268  -0.675  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        2.293  -0.669   0.216  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        2.331  -0.046   1.497  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1        1.851   1.239   1.358  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1        2.647  -1.942  -0.278  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        2.456  -2.234  -1.634  0.00  0.00    +0.003 A 
ATOM     10  N   LIG    1        1.524   1.421   0.040  0.00  0.00    -0.358 N 
ATOM     11  H   LIG    1        1.157   2.272  -0.367  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1        1.918  -1.283  -2.499  0.00  0.00    +0.026 A 
BRANCH   6  13
ATOM     13  C   LIG    1        2.780  -0.625   2.724  0.00  0.00    +0.101 C 
ATOM     14  N   LIG    1        3.141  -1.093   3.723  0.00  0.00    -0.191 NA
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1       -0.743   0.687  -3.138  0.00  0.00    +0.096 S 
ATOM     16  O   LIG    1       -1.235   1.889  -3.783  0.00  0.00    -0.148 OA
ATOM     17  O   LIG    1       -0.882  -0.598  -3.794  0.00  0.00    -0.148 OA
BRANCH  15  23
ATOM     18  C   LIG    1       -2.602  -1.365   1.296  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1       -2.321  -0.245   0.359  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -2.577   1.101   0.567  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1       -3.188   1.789   1.736  0.00  0.00    +0.053 C 
ATOM     22  S   LIG    1       -2.061   2.009  -0.797  0.00  0.00    -0.052 S 
ATOM     23  C   LIG    1       -1.559   0.563  -1.556  0.00  0.00    +0.236 A 
ATOM     24  N   LIG    1       -1.734  -0.544  -0.860  0.00  0.00    -0.225 NA
ENDBRANCH  15  23
ENDBRANCH   1  15
TORSDOF 4