REMARK  Name = BDB001107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.428   3.851   0.228  0.00  0.00    +0.174 C 
ATOM      2  N   LIG    1       -0.393   2.412   0.145  0.00  0.00    -0.250 N 
ATOM      3  C   LIG    1        0.698   1.607   0.107  0.00  0.00    +0.140 A 
ATOM      4  C   LIG    1        0.241   0.303   0.023  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        1.266  -0.688  -0.026  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        0.993  -2.141  -0.117  0.00  0.00    +0.105 C 
ATOM      7  S   LIG    1        2.619  -2.972  -0.155  0.00  0.00    -0.151 S 
ATOM      8  C   LIG    1        3.586  -1.432  -0.050  0.00  0.00    +0.110 C 
ATOM      9  C   LIG    1        2.571  -0.353   0.007  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        3.012   1.063   0.096  0.00  0.00    +0.255 A 
ATOM     11  O   LIG    1        4.200   1.364   0.125  0.00  0.00    -0.268 OA
ATOM     12  C   LIG    1       -1.182   0.427   0.013  0.00  0.00    +0.109 A 
ATOM     13  N   LIG    1        2.016   2.010   0.144  0.00  0.00    -0.307 N 
ATOM     14  H   LIG    1        2.295   2.980   0.203  0.00  0.00    +0.170 HD
ATOM     15  N   LIG    1       -1.538   1.726   0.084  0.00  0.00    -0.168 NA
ENDROOT
BRANCH  12  16
ATOM     16  C   LIG    1       -2.384  -0.624  -0.064  0.00  0.00    +0.040 A 
ATOM     17  S   LIG    1       -4.026  -0.079  -0.061  0.00  0.00    -0.095 S 
ATOM     18  C   LIG    1       -4.642  -1.665  -0.159  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -3.637  -2.600  -0.193  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -2.340  -1.998  -0.138  0.00  0.00    +0.018 A 
ENDBRANCH  12  16
TORSDOF 1