REMARK  Name = BDB037176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.902   0.374  -1.608  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.381   1.215  -1.822  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.541  -0.526  -0.592  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -1.194  -1.528  -0.338  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.683  -0.163   0.200  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.331  -1.209   0.772  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.448  -0.946   1.480  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        2.958   0.335   1.670  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.269   1.397   1.073  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.116   1.152   0.330  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.137  -1.994   2.057  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        2.552  -3.268   1.795  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.220   0.581   2.448  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.370   0.677   1.560  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.732   1.876   1.053  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.807   1.592   0.313  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.138   0.226   0.347  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.191  -0.342   1.167  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.272   0.227  -2.545  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -2.387   1.496  -3.240  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.154  -1.009  -3.284  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.588  -0.796  -1.424  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -3.601   0.190  -1.379  0.00  0.00    +0.191 A 
ATOM     24  C   LIG    1       -3.682   1.200  -0.406  0.00  0.00    +0.157 A 
ATOM     25  C   LIG    1       -4.709   1.186   0.544  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -5.691   0.200   0.492  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -5.639  -0.778  -0.499  0.00  0.00    +0.048 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -4.202  -3.008  -1.942  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -4.636  -1.731  -2.419  0.00  0.00    -0.493 OA
ENDBRANCH  22  29
BRANCH  24  30
ATOM     30  O   LIG    1       -2.719   2.171  -0.312  0.00  0.00    -0.432 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -3.210   3.429  -0.773  0.00  0.00    +0.541 C 
ATOM     32  F   LIG    1       -3.891   4.022   0.238  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -2.121   4.204  -1.011  0.00  0.00    -0.166 F 
ENDBRANCH  30  31
ENDBRANCH  24  30
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 9