REMARK  Name = BDB059334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.517  -1.946  -0.652  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1       -0.966  -0.810   0.003  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.354   0.008   0.033  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -1.288  -2.737  -1.190  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.209  -1.764   0.134  0.00  0.00    -0.047 A 
ATOM      6  C   LIG    1        1.823  -1.561   0.227  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        0.957  -2.138  -0.714  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        1.479  -2.934  -1.740  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.856  -3.131  -1.842  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.716  -2.545  -0.913  0.00  0.00    +0.003 A 
BRANCH   5  11
ATOM     11  C   LIG    1        4.143  -1.132   1.136  0.00  0.00    +0.035 C 
BRANCH  11  13
ATOM     12  C   LIG    1        5.497   0.908   1.726  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1        4.558   0.277   0.711  0.00  0.00    +0.001 C 
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  N   LIG    1       -2.452  -0.461  -0.252  0.00  0.00    -0.108 NA
ATOM     15  H   LIG    1       -2.903  -1.239  -0.761  0.00  0.00    +0.172 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -2.661   0.971  -1.170  0.00  0.00    +0.074 S 
ATOM     17  O   LIG    1       -3.109   0.572  -2.485  0.00  0.00    -0.152 OA
ATOM     18  O   LIG    1       -1.470   1.777  -0.977  0.00  0.00    -0.152 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -4.005   1.739  -0.311  0.00  0.00    +0.107 A 
ATOM     20  C   LIG    1       -5.301   1.659  -0.830  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -6.349   2.285  -0.155  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -6.099   2.991   1.024  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.802   3.077   1.532  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.748   2.454   0.863  0.00  0.00    +0.028 A 
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 6