REMARK  Name = BDB035068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.538  -0.518   1.004  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.611  -0.105   0.281  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.137  -1.287  -0.201  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.289  -1.381  -0.977  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        2.936  -0.173  -1.284  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        2.412   1.051  -0.812  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.356  -2.325   0.198  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.255   1.111  -0.015  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.703  -1.843   0.949  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.389   0.359   1.658  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.241   1.360   1.539  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.848  -0.056   2.351  0.00  0.00    +0.078 S 
ATOM     13  O   LIG    1       -3.514   1.196   2.655  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -2.545  -0.991   3.415  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.891  -0.221  -0.207  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1       -3.780  -0.835   1.054  0.00  0.00    +0.165 A 
ATOM     17  C   LIG    1       -4.420  -2.062   1.277  0.00  0.00    +0.148 A 
ATOM     18  C   LIG    1       -5.157  -2.672   0.255  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -5.243  -2.080  -1.000  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -4.615  -0.858  -1.228  0.00  0.00    +0.019 A 
BRANCH  15  23
ATOM     21  C   LIG    1       -2.245   3.416  -1.134  0.00  0.00    +0.106 C 
ATOM     22  C   LIG    1       -2.835   2.119  -0.807  0.00  0.00    -0.100 C 
ATOM     23  C   LIG    1       -3.317   1.054  -0.529  0.00  0.00    -0.064 C 
ENDBRANCH  15  23
BRANCH  17  24
ATOM     24  O   LIG    1       -4.459  -2.645   2.514  0.00  0.00    -0.493 OA
ATOM     25  C   LIG    1       -3.629  -3.808   2.565  0.00  0.00    +0.277 C 
ENDBRANCH  17  24
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  26
ATOM     26  O   LIG    1        0.693   2.261   0.473  0.00  0.00    -0.494 OA
ATOM     27  C   LIG    1        1.523   3.419   0.479  0.00  0.00    +0.277 C 
ENDBRANCH   8  26
BRANCH   5  28
ATOM     28  C   LIG    1        4.190  -0.181  -2.130  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.353   0.258  -1.369  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        5.765   1.542  -1.442  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.839   1.573  -0.648  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        7.119   0.320  -0.073  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        6.142  -0.515  -0.562  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8