REMARK  Name = BDB039277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.457  -0.914  -0.330  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.946  -0.982  -0.412  0.00  0.00    +0.113 A 
ATOM      3  S   LIG    1        2.944   0.077   0.502  0.00  0.00    -0.050 S 
ATOM      4  C   LIG    1        4.314  -0.710  -0.190  0.00  0.00    +0.132 A 
ATOM      5  N   LIG    1        3.981  -1.692  -1.007  0.00  0.00    -0.141 NA
ATOM      6  N   LIG    1        2.618  -1.851  -1.137  0.00  0.00    -0.145 NA
BRANCH   4   7
ATOM      7  C   LIG    1        5.703  -0.327   0.123  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        6.752  -1.102  -0.398  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        8.082  -0.779  -0.131  0.00  0.00    +0.136 A 
ATOM     10  F   LIG    1        9.047  -1.550  -0.649  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        8.418   0.317   0.655  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1        7.384   1.101   1.179  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        6.044   0.783   0.915  0.00  0.00    +0.011 A 
BRANCH  11  14
ATOM     14  C   LIG    1        9.864   0.621   0.912  0.00  0.00    +0.420 C 
ATOM     15  F   LIG    1       10.566   0.871  -0.227  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       10.514  -0.390   1.551  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       10.041   1.722   1.698  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   4   7
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  S   LIG    1       -0.205   0.428  -1.378  0.00  0.00    -0.118 S 
BRANCH  18  24
ATOM     19  C   LIG    1       -4.789  -2.204  -1.318  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -4.026  -0.957  -0.962  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1       -4.663   0.111  -0.304  0.00  0.00    +0.125 A 
ATOM     22  C   LIG    1       -3.929   1.258   0.010  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -2.574   1.345  -0.326  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1       -1.933   0.287  -0.969  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -2.665  -0.856  -1.296  0.00  0.00    +0.021 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -5.987  -0.084  -0.016  0.00  0.00    -0.478 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -6.755   0.998   0.505  0.00  0.00    +0.278 C 
ATOM     28  C   LIG    1       -8.217   0.659   0.226  0.00  0.00    +0.064 C 
BRANCH  27  29
ATOM     29  C   LIG    1       -6.576   1.197   2.010  0.00  0.00    +0.346 C 
ATOM     30  O   LIG    1       -5.930   0.511   2.785  0.00  0.00    -0.247 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -7.213   2.299   2.468  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1       -7.016   2.298   3.429  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 9