REMARK  Name = BDB049786
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.253   3.786  -0.042  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        1.372   2.957   0.021  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        1.225   1.565   0.092  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.081   1.032   0.084  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -1.220   1.845   0.015  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -1.028   3.233  -0.041  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.372   0.637   0.153  0.00  0.00    +0.109 A 
ATOM      8  S   LIG    1        3.904   1.136   0.768  0.00  0.00    -0.067 S 
ATOM      9  C   LIG    1        4.540  -0.439   0.507  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        3.537  -1.247  -0.027  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        3.836  -2.593  -0.322  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        5.119  -3.091  -0.077  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        6.105  -2.266   0.457  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        5.833  -0.928   0.757  0.00  0.00    +0.017 A 
ATOM     15  N   LIG    1        2.316  -0.627  -0.217  0.00  0.00    -0.239 NA
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -2.538   1.351   0.039  0.00  0.00    -0.298 N 
ATOM     17  H   LIG    1       -3.232   2.038  -0.203  0.00  0.00    +0.154 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -3.051   0.084   0.340  0.00  0.00    +0.152 A 
ATOM     19  C   LIG    1       -4.394  -0.229   0.166  0.00  0.00    +0.126 A 
ATOM     20  C   LIG    1       -4.881  -1.482   0.496  0.00  0.00    +0.183 A 
ATOM     21  N   LIG    1       -6.224  -1.576   0.245  0.00  0.00    -0.216 NA
ATOM     22  C   LIG    1       -6.562  -0.403  -0.239  0.00  0.00    +0.199 A 
ATOM     23  N   LIG    1       -4.120  -2.467   0.998  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1       -2.843  -2.101   1.140  0.00  0.00    +0.225 A 
ATOM     25  N   LIG    1       -5.490   0.443  -0.307  0.00  0.00    -0.340 N 
ATOM     26  H   LIG    1       -5.511   1.389  -0.657  0.00  0.00    +0.167 HD
ATOM     27  N   LIG    1       -2.286  -0.909   0.849  0.00  0.00    -0.218 NA
ENDBRANCH  16  18
ENDBRANCH   5  16
TORSDOF 3