REMARK  Name = BDB037166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.143  -0.019   1.433  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.715   0.901   1.531  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.566  -0.909   0.518  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -1.072  -1.962   0.163  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.747  -0.423  -0.009  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        1.149   0.811   0.414  0.00  0.00    -0.247 NA
ATOM      7  C   LIG    1        2.336   1.281  -0.045  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1        2.720   2.643   0.459  0.00  0.00    +0.066 C 
ATOM      9  C   LIG    1        3.143   0.554  -0.931  0.00  0.00    -0.005 A 
ATOM     10  C   LIG    1        2.687  -0.709  -1.347  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        1.476  -1.210  -0.883  0.00  0.00    +0.033 A 
BRANCH   9  12
ATOM     12  C   LIG    1        4.467   1.064  -1.448  0.00  0.00    +0.180 C 
BRANCH  12  13
ATOM     13  N   LIG    1        5.583   0.305  -0.899  0.00  0.00    -0.267 N 
ATOM     14  N   LIG    1        6.149  -0.682  -1.625  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1        7.126  -1.136  -0.835  0.00  0.00    +0.134 A 
ATOM     16  C   LIG    1        7.197  -0.438   0.384  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        6.191   0.496   0.311  0.00  0.00    +0.108 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   5
BRANCH   1  18
ATOM     18  S   LIG    1       -2.646  -0.171   2.111  0.00  0.00    +0.082 S 
ATOM     19  O   LIG    1       -2.938   1.107   2.734  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -2.615  -1.379   2.908  0.00  0.00    -0.150 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -4.681  -1.365   0.658  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -3.739  -0.336   0.729  0.00  0.00    +0.191 A 
ATOM     23  C   LIG    1       -3.668   0.598  -0.316  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -4.493   0.470  -1.439  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -5.432  -0.556  -1.501  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -5.537  -1.461  -0.447  0.00  0.00    +0.048 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -4.308  -3.516   1.392  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -4.885  -2.241   1.688  0.00  0.00    -0.493 OA
ENDBRANCH  21  28
BRANCH  23  29
ATOM     29  O   LIG    1       -2.748   1.615  -0.296  0.00  0.00    -0.493 OA
ATOM     30  C   LIG    1       -3.389   2.876  -0.078  0.00  0.00    +0.277 C 
ENDBRANCH  23  29
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 7