REMARK  Name = BDB033564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.924   0.067   0.943  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -0.496   0.004   0.907  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -0.753  -1.321   0.609  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1       -2.023  -1.871   0.473  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -3.104  -0.995   0.656  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1       -2.872   0.365   0.958  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.420  -1.989   0.467  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1       -1.574   0.895   1.090  0.00  0.00    +0.145 A 
ATOM      9  N   LIG    1        1.474  -1.118   0.667  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        1.647   1.224   1.193  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1        1.166   2.102   1.363  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1        3.293   1.265   1.486  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1        3.601   2.669   1.683  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1        3.572   0.291   2.518  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1        5.063  -0.109  -0.151  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1        4.012   0.804  -0.067  0.00  0.00    +0.150 A 
ATOM     17  C   LIG    1        3.491   1.381  -1.237  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        4.017   1.037  -2.483  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        5.071   0.129  -2.565  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        5.599  -0.433  -1.402  0.00  0.00    +0.047 A 
BRANCH  15  22
ATOM     21  C   LIG    1        5.320  -1.992   1.152  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        5.666  -0.618   0.964  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  23
ATOM     23  C   LIG    1       -4.522  -1.508   0.521  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -5.149  -1.022  -0.700  0.00  0.00    -0.267 N 
ATOM     25  N   LIG    1       -5.904   0.097  -0.672  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1       -6.314   0.232  -1.935  0.00  0.00    +0.134 A 
ATOM     27  C   LIG    1       -5.835  -0.795  -2.768  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1       -5.086  -1.597  -1.938  0.00  0.00    +0.108 A 
ENDBRANCH  23  24
ENDBRANCH   5  23
BRANCH   8  29
ATOM     29  O   LIG    1       -1.265   2.195   1.378  0.00  0.00    -0.405 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -2.334   3.111   1.573  0.00  0.00    +0.575 C 
ATOM     31  F   LIG    1       -3.116   2.729   2.603  0.00  0.00    -0.133 F 
ATOM     32  F   LIG    1       -3.073   3.232   0.452  0.00  0.00    -0.133 F 
ATOM     33  F   LIG    1       -1.808   4.319   1.865  0.00  0.00    -0.133 F 
ENDBRANCH  29  30
ENDBRANCH   8  29
TORSDOF 8