REMARK  Name = BDB003241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.688   1.000   0.959  0.00  0.00    +0.177 A 
ATOM      2  C   LIG    1       -1.992   2.359   0.592  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1       -1.143   3.050  -0.313  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1       -1.573   4.341  -0.548  0.00  0.00    +0.076 A 
ATOM      5  S   LIG    1       -3.014   4.687   0.310  0.00  0.00    -0.081 S 
ATOM      6  C   LIG    1        0.031   2.400  -0.889  0.00  0.00    +0.282 A 
ATOM      7  O   LIG    1        0.714   2.994  -1.720  0.00  0.00    -0.265 OA
ATOM      8  N   LIG    1        0.242   1.074  -0.414  0.00  0.00    -0.195 N 
ATOM      9  C   LIG    1       -3.049   3.131   1.017  0.00  0.00    +0.058 A 
ATOM     10  N   LIG    1       -0.628   0.416   0.477  0.00  0.00    -0.156 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        1.362   0.248  -0.810  0.00  0.00    +0.070 A 
ATOM     12  C   LIG    1        1.427  -1.101  -0.402  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        2.494  -1.953  -0.754  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1        2.482  -3.381  -0.281  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        3.540  -1.452  -1.543  0.00  0.00    -0.047 A 
ATOM     16  C   LIG    1        4.704  -2.311  -1.950  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1        3.494  -0.115  -1.949  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        2.426   0.718  -1.587  0.00  0.00    +0.028 A 
ENDBRANCH   8  11
BRANCH   4  19
ATOM     19  N   LIG    1       -0.998   5.277  -1.331  0.00  0.00    -0.352 N 
ATOM     20  H   LIG    1       -1.532   6.086  -1.632  0.00  0.00    +0.143 HD
ATOM     21  H   LIG    1       -0.256   4.996  -1.974  0.00  0.00    +0.143 HD
ENDBRANCH   4  19
BRANCH   1  22
ATOM     22  C   LIG    1       -2.571   0.203   1.904  0.00  0.00    +0.360 C 
ATOM     23  O   LIG    1       -2.781   0.551   3.052  0.00  0.00    -0.243 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -3.064  -0.871   1.255  0.00  0.00    -0.460 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -3.069  -2.752   2.777  0.00  0.00    +0.048 C 
ATOM     26  C   LIG    1       -3.909  -1.731   2.032  0.00  0.00    +0.229 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 5