REMARK  Name = BDB021889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.501   0.594   2.745  0.00  0.00    +0.010 C 
ATOM      2  C   LIG    1        0.007   1.169   1.413  0.00  0.00    +0.021 C 
ATOM      3  C   LIG    1        0.755   0.549   0.213  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        0.142   1.033  -1.123  0.00  0.00    +0.021 C 
ATOM      5  C   LIG    1        0.759   0.337  -2.340  0.00  0.00    +0.010 C 
ATOM      6  C   LIG    1       -1.379   0.812  -1.126  0.00  0.00    +0.089 C 
ATOM      7  N   LIG    1       -2.002   1.481   0.017  0.00  0.00    -0.298 NA
ATOM      8  C   LIG    1       -1.507   0.942   1.284  0.00  0.00    +0.089 C 
ENDROOT
BRANCH   3   9
ATOM      9  N   LIG    1        2.178   0.896   0.291  0.00  0.00    -0.296 N 
ATOM     10  H   LIG    1        2.405   1.876   0.211  0.00  0.00    +0.151 HD
ATOM     11  C   LIG    1        3.175  -0.007  -0.029  0.00  0.00    +0.306 C 
ATOM     12  N   LIG    1        4.410   0.579   0.081  0.00  0.00    -0.248 N 
ATOM     13  H   LIG    1        4.487   1.451   0.576  0.00  0.00    +0.158 HD
ATOM     14  O   LIG    1        2.929  -1.163  -0.344  0.00  0.00    -0.252 OA
BRANCH  12  15
ATOM     15  C   LIG    1        5.623   0.013  -0.210  0.00  0.00    +0.165 A 
ATOM     16  S   LIG    1        5.786  -1.478  -1.021  0.00  0.00    -0.060 S 
ATOM     17  C   LIG    1        7.491  -1.324  -0.947  0.00  0.00    +0.068 A 
ATOM     18  C   LIG    1        7.816  -0.140  -0.322  0.00  0.00    +0.120 A 
ATOM     19  N   LIG    1        6.744   0.628   0.092  0.00  0.00    -0.233 NA
ENDBRANCH  12  15
ENDBRANCH   3   9
BRANCH   7  20
ATOM     20  C   LIG    1       -3.473   1.519  -0.063  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.200   0.191  -0.022  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1       -4.479  -0.509  -1.205  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -5.148  -1.734  -1.167  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.551  -2.271   0.054  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.286  -1.584   1.237  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.617  -0.359   1.200  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4