REMARK  Name = BDB052672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.116  -3.088  -1.800  0.00  0.00    +0.167 A 
ATOM      2  N   LIG    1       -1.442  -2.743  -1.669  0.00  0.00    -0.271 N 
ATOM      3  C   LIG    1       -2.132  -3.881  -2.062  0.00  0.00    +0.180 A 
ATOM      4  S   LIG    1       -3.748  -4.266  -2.094  0.00  0.00    -0.011 S 
ATOM      5  N   LIG    1       -1.158  -4.813  -2.408  0.00  0.00    -0.254 N 
ATOM      6  H   LIG    1       -1.316  -5.773  -2.692  0.00  0.00    +0.191 HD
ATOM      7  N   LIG    1        0.089  -4.309  -2.214  0.00  0.00    -0.153 NA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        3.171  -0.448  -1.078  0.00  0.00    -0.047 A 
ATOM      9  C   LIG    1        3.175  -1.756  -0.572  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        2.102  -2.614  -0.818  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        1.006  -2.163  -1.558  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        1.007  -0.873  -2.097  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        2.083  -0.018  -1.849  0.00  0.00    +0.004 A 
BRANCH   8  14
ATOM     14  C   LIG    1        4.321   0.486  -0.790  0.00  0.00    +0.035 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.338   1.013   0.649  0.00  0.00    +0.004 C 
BRANCH  15  17
ATOM     16  C   LIG    1        3.265   2.513   2.369  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        3.163   1.943   0.962  0.00  0.00    -0.003 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   1  11
BRANCH   2  18
ATOM     18  C   LIG    1       -1.993  -1.581  -1.075  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1       -3.122  -0.960  -1.619  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1       -3.654   0.200  -1.044  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -3.072   0.769   0.095  0.00  0.00    -0.045 A 
ATOM     22  C   LIG    1       -1.947   0.145   0.647  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -1.417  -1.014   0.069  0.00  0.00    +0.026 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.666   2.028   0.702  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1       -2.668   3.188   0.679  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -4.180   1.779   2.122  0.00  0.00    +0.012 C 
ENDBRANCH  21  24
ENDBRANCH   2  18
TORSDOF 6