REMARK  Name = BDB037177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.703  -0.420   1.178  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.364  -1.344   0.918  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.240   0.607   1.301  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -0.032   1.790   1.419  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.648   0.101   1.261  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.799  -1.229   0.998  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        3.064  -1.697   0.954  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        4.192  -0.910   1.177  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        3.993   0.454   1.435  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.704   0.972   1.478  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.271  -3.034   0.674  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        2.070  -3.762   0.440  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.584  -1.477   1.107  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.187  -1.232  -0.193  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.964  -0.142  -0.380  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.348  -0.244  -1.654  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.827  -1.390  -2.284  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.082  -2.014  -1.311  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.341  -0.221   1.058  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -2.870  -1.516   0.669  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.777   0.395   2.292  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -1.901   0.574  -1.529  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -2.571   0.854  -0.328  0.00  0.00    +0.191 A 
ATOM     24  C   LIG    1       -3.438   1.950  -0.268  0.00  0.00    +0.151 A 
ATOM     25  C   LIG    1       -3.550   2.809  -1.369  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -2.845   2.554  -2.543  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -2.024   1.434  -2.626  0.00  0.00    +0.048 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -1.623  -1.505  -2.496  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -1.063  -0.508  -1.636  0.00  0.00    -0.493 OA
ENDBRANCH  22  29
BRANCH  24  30
ATOM     30  O   LIG    1       -4.130   2.248   0.872  0.00  0.00    -0.487 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -5.558   2.153   0.739  0.00  0.00    +0.167 C 
ATOM     32  C   LIG    1       -6.163   3.106   1.764  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -6.009   0.721   1.012  0.00  0.00    +0.051 C 
ENDBRANCH  30  31
ENDBRANCH  24  30
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 9