REMARK  Name = BDB065406
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.901  -1.018  -1.356  0.00  0.00    -0.224 N 
ATOM      2  C   LIG    1       -2.042   0.015  -1.642  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1       -2.303   1.006  -2.311  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.710  -0.240  -1.025  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1        0.294   0.632  -1.192  0.00  0.00    +0.035 C 
ATOM      6  S   LIG    1       -0.732  -1.747  -0.199  0.00  0.00    -0.026 S 
ATOM      7  C   LIG    1       -2.407  -2.054  -0.614  0.00  0.00    +0.286 C 
ATOM      8  O   LIG    1       -2.994  -3.068  -0.272  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        1.611   0.489  -0.664  0.00  0.00    +0.015 A 
ATOM     10  S   LIG    1        2.943   1.006  -1.625  0.00  0.00    -0.074 S 
ATOM     11  C   LIG    1        4.108   0.537  -0.456  0.00  0.00    +0.070 A 
ATOM     12  C   LIG    1        3.483   0.070   0.681  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        2.061   0.038   0.562  0.00  0.00    +0.017 A 
BRANCH  11  14
ATOM     14  N   LIG    1        5.423   0.726  -0.724  0.00  0.00    -0.308 N 
ATOM     15  H   LIG    1        5.656   1.333  -1.508  0.00  0.00    +0.153 HD
BRANCH  14  16
ATOM     16  C   LIG    1        6.574   0.160  -0.130  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        7.814   0.826  -0.237  0.00  0.00    +0.062 A 
ATOM     18 CL   LIG    1        7.952   2.297  -1.143  0.00  0.00    -0.082 Cl
ATOM     19  C   LIG    1        8.968   0.324   0.374  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        8.906  -0.857   1.108  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        7.695  -1.534   1.224  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        6.542  -1.028   0.613  0.00  0.00    +0.025 A 
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   5   9
BRANCH   1  23
ATOM     23  C   LIG    1       -4.279  -1.002  -1.798  0.00  0.00    +0.152 C 
BRANCH  23  28
ATOM     24  C   LIG    1       -7.664   1.552   2.202  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -6.821   0.889   1.153  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1       -6.210   1.650   0.150  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -5.399   1.039  -0.808  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.180  -0.345  -0.778  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -5.773  -1.102   0.241  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -6.584  -0.489   1.199  0.00  0.00    +0.003 A 
ENDBRANCH  23  28
ENDBRANCH   1  23
TORSDOF 5