REMARK  Name = BDB037253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.598  -1.705  -1.404  0.00  0.00    -0.219 N 
ATOM      2  H   LIG    1       -0.117  -2.209  -0.673  0.00  0.00    +0.166 HD
ATOM      3  C   LIG    1       -0.037  -0.515  -1.782  0.00  0.00    +0.274 C 
ATOM      4  O   LIG    1       -0.574   0.365  -2.443  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.362  -0.348  -1.279  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        1.835  -1.362  -0.505  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        3.084  -1.212  -0.012  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.898  -0.110  -0.272  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        3.371   0.910  -1.078  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.083   0.794  -1.590  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.620  -2.231   0.748  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        2.655  -3.174   1.201  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.274   0.015   0.324  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.265   0.868   1.505  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        4.910   0.367   2.706  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.033   1.407   3.534  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        5.477   2.567   2.875  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.626   2.187   1.562  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.265  -1.883  -1.302  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -2.388  -2.911  -0.286  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -2.630  -2.107  -2.774  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -2.040  -2.834  -3.172  0.00  0.00    +0.199 HD
BRANCH  19  24
ATOM     23  C   LIG    1       -2.392   0.164   0.503  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1       -3.000  -0.420  -0.621  0.00  0.00    +0.148 A 
ATOM     25  C   LIG    1       -4.198   0.124  -1.109  0.00  0.00    +0.145 A 
ATOM     26  C   LIG    1       -4.790   1.235  -0.470  0.00  0.00    -0.007 A 
ATOM     27  C   LIG    1       -6.101   1.813  -0.927  0.00  0.00    +0.047 C 
ATOM     28  C   LIG    1       -4.125   1.843   0.603  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1       -2.930   1.314   1.084  0.00  0.00    +0.047 A 
BRANCH  23  31
ATOM     30  C   LIG    1       -1.421  -0.876   2.332  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -1.228  -0.351   1.016  0.00  0.00    -0.494 OA
ENDBRANCH  23  31
BRANCH  25  32
ATOM     32  O   LIG    1       -4.880  -0.456  -2.146  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -4.571   0.196  -3.383  0.00  0.00    +0.277 C 
ENDBRANCH  25  32
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 8