REMARK  Name = BDB030300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.195  -0.885   0.334  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.487  -0.147  -0.621  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        0.879   0.066  -0.438  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1        1.587   0.820  -1.398  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        1.111   1.190  -2.209  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        2.939   1.103  -1.336  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        3.651   0.570  -0.180  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        2.982  -0.174   0.775  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1        4.013  -0.687   2.029  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1        5.368   0.074   1.311  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        5.037   0.711   0.135  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1        3.486   1.768  -2.210  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        1.550  -0.465   0.686  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        0.832  -1.223   1.618  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -0.537  -1.440   1.437  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  18
ATOM     16  C   LIG    1       -3.227   1.290   0.346  0.00  0.00    +0.132 C 
ATOM     17  N   LIG    1       -3.506  -0.083  -0.052  0.00  0.00    -0.304 N 
ATOM     18  C   LIG    1       -2.638  -1.155   0.152  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1       -2.997  -2.330   0.168  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1       -4.893  -0.384  -0.360  0.00  0.00    +0.132 C 
ENDBRANCH   1  18
TORSDOF 1