REMARK  Name = BDB053811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.277   0.211   1.021  0.00  0.00    +0.128 A 
ATOM      2  C   LIG    1        1.217  -0.435   0.355  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        1.479  -1.741  -0.043  0.00  0.00    +0.114 A 
ATOM      4  S   LIG    1        0.170  -2.468  -0.855  0.00  0.00    -0.073 S 
ATOM      5  C   LIG    1       -0.766  -1.057  -0.728  0.00  0.00    -0.004 A 
ATOM      6  C   LIG    1       -2.149  -0.980  -1.296  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -2.593   0.484  -1.420  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -2.274   1.273  -0.145  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -0.766   1.300   0.154  0.00  0.00    +0.037 C 
ATOM     10  N   LIG    1        2.617  -2.429   0.150  0.00  0.00    -0.228 NA
ATOM     11  C   LIG    1        3.542  -1.706   0.783  0.00  0.00    +0.224 A 
ATOM     12  C   LIG    1       -0.117  -0.041  -0.046  0.00  0.00    -0.025 A 
ATOM     13  N   LIG    1        3.434  -0.445   1.225  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1        2.227   1.510   1.515  0.00  0.00    -0.343 N 
ATOM     15  H   LIG    1        3.023   1.664   2.125  0.00  0.00    +0.144 HD
ATOM     16  H   LIG    1        1.335   1.768   1.912  0.00  0.00    +0.144 HD
ENDBRANCH   1  14
TORSDOF 1