REMARK  Name = BDB032912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.527  -1.387  -1.319  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -1.658  -0.941  -0.600  0.00  0.00    -0.006 A 
ATOM      3  C   LIG    1       -2.845  -1.690  -0.722  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -2.912  -2.825  -1.535  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -1.793  -3.235  -2.254  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.604  -2.516  -2.151  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.665   0.276   0.230  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -1.926   0.205   1.608  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -1.912   1.356   2.400  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.642   2.595   1.825  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -1.390   2.686   0.458  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -1.405   1.536  -0.334  0.00  0.00    +0.008 A 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     13  N   LIG    1        1.272  -0.508   0.019  0.00  0.00    -0.261 N 
ATOM     14  H   LIG    1        0.729  -0.822   0.812  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        0.797  -0.707  -1.254  0.00  0.00    +0.250 C 
ATOM     16  O   LIG    1        1.352  -0.440  -2.313  0.00  0.00    -0.270 OA
BRANCH  13  19
ATOM     17  C   LIG    1        4.519   1.300   0.532  0.00  0.00    +0.166 A 
ATOM     18  S   LIG    1        3.510   0.813  -0.747  0.00  0.00    -0.030 S 
ATOM     19  C   LIG    1        2.437   0.119   0.381  0.00  0.00    +0.167 A 
ATOM     20  N   LIG    1        2.778   0.224   1.647  0.00  0.00    -0.231 NA
ATOM     21  C   LIG    1        3.979   0.906   1.734  0.00  0.00    +0.152 A 
BRANCH  17  23
ATOM     22  O   LIG    1        6.137   2.325  -0.720  0.00  0.00    -0.143 OA
ATOM     23  N   LIG    1        5.788   2.036   0.429  0.00  0.00    -0.022 NA
ENDBRANCH  17  23
ENDBRANCH  13  19
ENDBRANCH   1  15
TORSDOF 4