REMARK  Name = BDB001106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.855   3.942  -0.192  0.00  0.00    +0.174 C 
ATOM      2  N   LIG    1       -0.543   2.537  -0.114  0.00  0.00    -0.250 N 
ATOM      3  C   LIG    1       -1.381   1.501   0.168  0.00  0.00    +0.140 A 
ATOM      4  C   LIG    1       -0.614   0.362   0.115  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -1.272  -0.869   0.353  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -0.561  -2.172   0.283  0.00  0.00    +0.105 C 
ATOM      7  S   LIG    1       -1.853  -3.434   0.594  0.00  0.00    -0.151 S 
ATOM      8  C   LIG    1       -3.212  -2.232   0.835  0.00  0.00    +0.110 C 
ATOM      9  C   LIG    1       -2.588  -0.906   0.625  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -3.397   0.345   0.691  0.00  0.00    +0.255 A 
ATOM     11  O   LIG    1       -4.596   0.314   0.946  0.00  0.00    -0.268 OA
ATOM     12  C   LIG    1        0.694   0.795  -0.205  0.00  0.00    +0.102 A 
ATOM     13  N   LIG    1       -2.731   1.532   0.446  0.00  0.00    -0.307 N 
ATOM     14  H   LIG    1       -3.269   2.387   0.478  0.00  0.00    +0.170 HD
ATOM     15  N   LIG    1        0.721   2.132  -0.365  0.00  0.00    -0.169 NA
ENDROOT
BRANCH  12  16
ATOM     16  C   LIG    1        1.903   0.006  -0.377  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        2.446  -0.173  -1.655  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        3.595  -0.946  -1.826  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.210  -1.535  -0.721  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.681  -1.349   0.556  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        2.532  -0.576   0.730  0.00  0.00    +0.010 A 
ENDBRANCH  12  16
TORSDOF 1