REMARK  Name = BDB059287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.327   0.628   0.578  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.402  -0.214   0.800  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.373  -1.184   0.474  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.451   1.851   0.618  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -2.569  -3.402  -0.318  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -2.415  -1.921  -0.142  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -1.161  -1.371   0.141  0.00  0.00    +0.138 A 
ATOM      8  F   LIG    1       -0.114  -2.202   0.275  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1       -0.989   0.007   0.274  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -2.100   0.850   0.110  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -3.373   0.333  -0.188  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1       -3.509  -1.061  -0.315  0.00  0.00    +0.014 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -4.531   1.226  -0.367  0.00  0.00    -0.018 A 
ATOM     14  C   LIG    1       -4.474   2.317  -1.252  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -5.572   3.164  -1.424  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.747   2.936  -0.712  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -6.824   1.863   0.171  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -5.726   1.016   0.341  0.00  0.00    +0.008 A 
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  N   LIG    1        2.788   0.448   0.743  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        2.682   1.476   0.730  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        3.710  -0.004  -0.630  0.00  0.00    +0.076 S 
ATOM     22  O   LIG    1        3.687   1.091  -1.572  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        3.260  -1.332  -1.005  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1        5.330  -0.141   0.033  0.00  0.00    +0.142 A 
ATOM     25  C   LIG    1        5.899   0.969   0.643  0.00  0.00    +0.150 A 
ATOM     26  F   LIG    1        5.226   2.123   0.748  0.00  0.00    -0.203 F 
ATOM     27  C   LIG    1        7.185   0.895   1.171  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        7.902  -0.299   1.085  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        7.330  -1.416   0.471  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        6.040  -1.341  -0.059  0.00  0.00    +0.031 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5