REMARK  Name = BDB037243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.257   1.327   1.245  0.00  0.00    -0.219 N 
ATOM      2  H   LIG    1        0.355   0.871   1.903  0.00  0.00    +0.166 HD
ATOM      3  C   LIG    1       -0.016   1.192  -0.090  0.00  0.00    +0.274 C 
ATOM      4  O   LIG    1       -0.777   1.510  -0.997  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.306   0.559  -0.386  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        2.032   0.163   0.694  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        3.224  -0.421   0.443  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.725  -0.652  -0.839  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.936  -0.241  -1.924  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.711   0.378  -1.699  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.973  -0.876   1.509  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        3.496  -0.431   2.774  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.051  -1.330  -1.059  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.994  -0.471  -1.768  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.585   0.562  -1.135  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.370   1.102  -2.070  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.299   0.411  -3.293  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.408  -0.611  -3.065  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.784   1.640   1.831  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -2.017   3.013   1.440  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -1.647   1.179   3.294  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -2.497   1.432   3.802  0.00  0.00    +0.199 HD
BRANCH  19  26
ATOM     23  C   LIG    1       -4.894  -1.102  -0.124  0.00  0.00    +0.127 A 
ATOM     24  C   LIG    1       -5.235   0.198   0.243  0.00  0.00    +0.092 A 
ATOM     25  C   LIG    1       -4.280   1.040   0.831  0.00  0.00    +0.145 A 
ATOM     26  C   LIG    1       -2.986   0.576   1.087  0.00  0.00    +0.148 A 
ATOM     27  C   LIG    1       -2.663  -0.747   0.769  0.00  0.00    +0.145 A 
ATOM     28  C   LIG    1       -3.606  -1.569   0.141  0.00  0.00    +0.092 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -7.011  -1.554  -1.109  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -5.721  -2.013  -0.722  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  O   LIG    1       -4.688   2.280   1.246  0.00  0.00    -0.494 OA
ATOM     32  C   LIG    1       -4.819   3.170   0.132  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
BRANCH  27  33
ATOM     33  O   LIG    1       -1.413  -1.248   1.022  0.00  0.00    -0.494 OA
ATOM     34  C   LIG    1       -1.448  -2.268   2.023  0.00  0.00    +0.277 C 
ENDBRANCH  27  33
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 9