REMARK  Name = BDB032671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.653   0.202  -0.397  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1        0.241   1.212  -0.586  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1        1.408   0.707  -1.129  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1        1.210  -0.604  -1.264  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1       -0.078  -0.973  -0.825  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -2.135   1.592   1.085  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -1.958   0.566   0.141  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -3.096  -0.135  -0.297  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -4.374   0.166   0.197  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.521   1.187   1.139  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -3.404   1.890   1.591  0.00  0.00    +0.047 A 
BRANCH   9  12
ATOM     12  C   LIG    1       -5.533  -0.576  -0.286  0.00  0.00    +0.069 A 
ATOM     13  N   LIG    1       -6.379  -1.332   0.495  0.00  0.00    -0.267 N 
ATOM     14  C   LIG    1       -6.285  -1.583   1.915  0.00  0.00    +0.173 C 
ATOM     15  N   LIG    1       -7.384  -1.905  -0.199  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -7.157  -1.529  -1.458  0.00  0.00    +0.135 A 
ATOM     17  C   LIG    1       -6.019  -0.715  -1.573  0.00  0.00    +0.049 A 
ENDBRANCH   9  12
BRANCH   6  19
ATOM     18  C   LIG    1       -1.015   3.611   1.174  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -1.047   2.249   1.603  0.00  0.00    -0.494 OA
ENDBRANCH   6  19
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  N   LIG    1        2.141  -1.500  -1.762  0.00  0.00    -0.197 N 
ATOM     21  H   LIG    1        1.993  -2.498  -1.648  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1        3.744  -1.113  -2.069  0.00  0.00    +0.081 S 
ATOM     23  O   LIG    1        3.745  -0.101  -3.104  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        4.415  -2.381  -2.291  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.353  -0.474  -0.536  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1        4.135  -1.203   0.643  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1        4.553  -0.694   1.877  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        5.246   0.513   1.935  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        5.513   1.214   0.761  0.00  0.00    +0.048 A 
ATOM     30  C   LIG    1        5.056   0.733  -0.473  0.00  0.00    +0.150 A 
BRANCH  26  31
ATOM     31  O   LIG    1        3.461  -2.398   0.618  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1        4.344  -3.486   0.911  0.00  0.00    +0.277 C 
ENDBRANCH  26  31
BRANCH  30  33
ATOM     33  O   LIG    1        5.424   1.415  -1.599  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1        4.667   2.617  -1.748  0.00  0.00    +0.277 C 
ENDBRANCH  30  33
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 8