REMARK  Name = BDB059373
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.255   1.559   0.939  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        0.530   0.628   0.277  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.105  -0.259  -0.004  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.223   2.366   1.733  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -4.882   2.613   2.489  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -3.968   2.047   1.441  0.00  0.00    -0.048 A 
ATOM      7  C   LIG    1       -4.494   1.444   0.288  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1       -3.640   0.895  -0.680  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -2.249   0.934  -0.482  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -1.719   1.506   0.681  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -2.581   2.065   1.633  0.00  0.00    +0.016 A 
BRANCH   8  12
ATOM     12  N   LIG    1       -4.154   0.295  -1.864  0.00  0.00    -0.240 N 
ATOM     13  N   LIG    1       -3.315  -0.245  -2.788  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -4.117  -0.714  -3.744  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1       -5.471  -0.489  -3.466  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -5.471   0.160  -2.254  0.00  0.00    +0.114 A 
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  N   LIG    1        1.965   0.476   0.837  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.134   1.203   1.554  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.250  -1.054   1.570  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        2.396  -0.777   2.981  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        1.242  -1.954   1.046  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.804  -1.535   0.910  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        4.537  -2.492   1.597  0.00  0.00    +0.150 A 
ATOM     24  F   LIG    1        4.066  -3.060   2.715  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        5.778  -2.901   1.119  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        6.289  -2.344  -0.056  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        5.561  -1.370  -0.754  0.00  0.00    -0.048 A 
ATOM     28  C   LIG    1        6.093  -0.802  -2.038  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1        4.305  -0.976  -0.272  0.00  0.00    +0.035 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 5