REMARK  Name = BDB037206
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.316  -0.986  -0.131  0.00  0.00    -0.219 N 
ATOM      2  H   LIG    1       -0.554  -1.476   0.021  0.00  0.00    +0.166 HD
ATOM      3  C   LIG    1        0.256   0.172  -0.856  0.00  0.00    +0.274 C 
ATOM      4  O   LIG    1        1.203   0.856  -1.221  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.150   0.582  -1.162  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -2.110  -0.318  -0.813  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1       -3.389   0.037  -1.063  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1       -3.760   1.239  -1.665  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1       -2.738   2.133  -2.017  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.411   1.803  -1.762  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -4.396  -0.856  -0.761  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1       -3.966  -1.962   0.024  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1       -5.207   1.595  -1.883  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -5.701   2.537  -0.883  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -5.511   2.312   0.436  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -6.048   3.383   1.023  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -6.612   4.277   0.096  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -6.383   3.698  -1.130  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        1.628  -2.024  -0.165  0.00  0.00    +0.157 S 
ATOM     20  O   LIG    1        1.141  -3.090   0.686  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1        1.925  -2.192  -1.660  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1        1.192  -2.737  -2.108  0.00  0.00    +0.199 HD
BRANCH  19  26
ATOM     23  C   LIG    1        5.301  -0.218   1.865  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1        5.348  -1.510   1.332  0.00  0.00    +0.092 A 
ATOM     25  C   LIG    1        4.229  -2.079   0.710  0.00  0.00    +0.142 A 
ATOM     26  C   LIG    1        3.046  -1.329   0.637  0.00  0.00    +0.107 A 
ATOM     27  C   LIG    1        2.984  -0.050   1.203  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        4.113   0.505   1.810  0.00  0.00    +0.047 A 
BRANCH  23  30
ATOM     29  C   LIG    1        6.603   1.621   2.593  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        6.466   0.212   2.439  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  O   LIG    1        4.205  -3.347   0.198  0.00  0.00    -0.494 OA
ATOM     32  C   LIG    1        5.456  -3.988  -0.021  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 8