REMARK  Name = BDB027180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.499  -1.453   0.999  0.00  0.00    +0.105 A 
ATOM      2  C   LIG    1       -0.255  -2.092  -0.221  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        1.061  -2.319  -0.625  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        2.116  -1.897   0.186  0.00  0.00    +0.130 A 
ATOM      5  C   LIG    1        1.870  -1.288   1.420  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        0.555  -1.058   1.829  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1       -2.175  -1.175   1.502  0.00  0.00    +0.059 S 
ATOM      8  O   LIG    1       -2.180  -0.609   2.833  0.00  0.00    -0.153 OA
ATOM      9  O   LIG    1       -2.948  -2.346   1.160  0.00  0.00    -0.153 OA
BRANCH   7  10
ATOM     10  N   LIG    1       -2.621   0.097   0.471  0.00  0.00    -0.185 NA
ATOM     11  H   LIG    1       -2.364   0.971   0.939  0.00  0.00    +0.148 HD
BRANCH  10  14
ATOM     12  N   LIG    1       -5.737   1.653  -0.686  0.00  0.00    -0.268 N 
ATOM     13  C   LIG    1       -4.327   1.243  -0.943  0.00  0.00    +0.136 C 
ATOM     14  C   LIG    1       -4.044   0.102   0.047  0.00  0.00    +0.096 C 
ATOM     15  C   LIG    1       -4.989   0.415   1.197  0.00  0.00    +0.041 C 
ATOM     16  C   LIG    1       -6.244   0.885   0.479  0.00  0.00    +0.118 C 
BRANCH  12  18
ATOM     17  N   LIG    1       -7.197   2.764  -2.378  0.00  0.00    -0.174 NA
ATOM     18  C   LIG    1       -6.521   2.253  -1.591  0.00  0.00    +0.169 C 
ENDBRANCH  12  18
ENDBRANCH  10  14
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  O   LIG    1        3.397  -2.181  -0.219  0.00  0.00    -0.438 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.204  -1.098  -0.554  0.00  0.00    +0.220 A 
ATOM     21  N   LIG    1        3.672   0.138  -0.699  0.00  0.00    -0.220 NA
ATOM     22  C   LIG    1        4.519   1.132  -1.049  0.00  0.00    +0.127 A 
ATOM     23  C   LIG    1        5.878   0.954  -1.273  0.00  0.00    +0.073 A 
ATOM     24  C   LIG    1        6.396  -0.335  -1.113  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1        5.547  -1.379  -0.753  0.00  0.00    +0.068 A 
BRANCH  23  26
ATOM     26  C   LIG    1        6.735   2.127  -1.636  0.00  0.00    +0.419 C 
ATOM     27  F   LIG    1        7.096   2.860  -0.548  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        6.117   2.994  -2.485  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        7.898   1.772  -2.250  0.00  0.00    -0.166 F 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 7