REMARK  Name = BDB028625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.505  -2.146   0.136  0.00  0.00    -0.196 N 
ATOM      2  H   LIG    1       -1.036  -3.012   0.242  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.812  -2.439  -0.210  0.00  0.00    +0.192 A 
ATOM      4  C   LIG    1        1.787  -1.568  -0.758  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1        2.889  -2.389  -0.921  0.00  0.00    +0.173 A 
ATOM      6  C   LIG    1        4.120  -1.975  -1.426  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        4.226  -0.628  -1.817  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        3.115   0.226  -1.695  0.00  0.00    +0.052 A 
ATOM      9  O   LIG    1        2.576  -3.655  -0.536  0.00  0.00    -0.353 OA
ATOM     10  C   LIG    1        1.894  -0.223  -1.155  0.00  0.00    +0.135 A 
ATOM     11  N   LIG    1        1.253  -3.699  -0.129  0.00  0.00    -0.060 NA
BRANCH  10  12
ATOM     12  O   LIG    1        0.793   0.597  -1.101  0.00  0.00    -0.494 OA
ATOM     13  C   LIG    1        1.050   1.812  -0.398  0.00  0.00    +0.277 C 
ENDBRANCH  10  12
BRANCH   7  14
ATOM     14  C   LIG    1        5.522  -0.111  -2.399  0.00  0.00    +0.178 C 
BRANCH  14  15
ATOM     15  N   LIG    1        6.612  -0.170  -1.433  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        7.587  -1.094  -1.570  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        8.401  -0.849  -0.540  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        7.964   0.234   0.243  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        6.807   0.660  -0.364  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1   3
BRANCH   1  20
ATOM     20  S   LIG    1       -0.769  -1.298   1.588  0.00  0.00    +0.081 S 
ATOM     21  O   LIG    1       -1.174  -2.278   2.576  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1        0.376  -0.442   1.825  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -2.290   1.027   1.573  0.00  0.00    +0.151 A 
ATOM     24  C   LIG    1       -2.214  -0.324   1.208  0.00  0.00    +0.191 A 
ATOM     25  C   LIG    1       -3.302  -0.949   0.570  0.00  0.00    +0.151 A 
ATOM     26  C   LIG    1       -4.427  -0.183   0.232  0.00  0.00    +0.051 A 
ATOM     27  C   LIG    1       -4.521   1.186   0.536  0.00  0.00    -0.037 A 
ATOM     28  C   LIG    1       -3.433   1.760   1.217  0.00  0.00    +0.051 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -5.722   2.046   0.177  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1       -6.484   1.830  -1.109  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1       -7.124   1.487   0.206  0.00  0.00    +0.009 C 
ENDBRANCH  27  29
BRANCH  23  33
ATOM     32  C   LIG    1       -1.418   2.851   2.864  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -1.249   1.571   2.269  0.00  0.00    -0.493 OA
ENDBRANCH  23  33
BRANCH  25  34
ATOM     34  O   LIG    1       -3.206  -2.292   0.306  0.00  0.00    -0.493 OA
ATOM     35  C   LIG    1       -4.387  -2.986  -0.079  0.00  0.00    +0.277 C 
ENDBRANCH  25  34
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 9