REMARK  Name = BDB000069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.320  -0.880  -0.128  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.265  -1.412  -0.764  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1       -0.930  -0.795  -0.636  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -1.101   0.350   0.116  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -2.397   0.994   0.238  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -3.458   0.468  -0.394  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -3.317  -0.777  -1.224  0.00  0.00    +0.260 A 
ATOM      8  O   LIG    1       -4.307  -1.235  -1.793  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        0.037   0.821   0.727  0.00  0.00    +0.126 A 
ATOM     10  N   LIG    1       -2.055  -1.345  -1.300  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1       -1.851  -2.550  -2.085  0.00  0.00    +0.154 C 
ATOM     12  N   LIG    1        1.241   0.229   0.617  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -4.779   1.117  -0.275  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -5.673   0.752   0.748  0.00  0.00    +0.050 A 
ATOM     15 CL   LIG    1       -5.269  -0.445   1.933  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1       -6.931   1.357   0.850  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1       -7.316   2.333  -0.066  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -6.443   2.707  -1.085  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1       -5.184   2.104  -1.191  0.00  0.00    +0.050 A 
ATOM     20 CL   LIG    1       -4.156   2.634  -2.480  0.00  0.00    -0.083 Cl
ENDBRANCH   6  13
BRANCH   1  21
ATOM     21  N   LIG    1        2.518  -1.567  -0.306  0.00  0.00    -0.284 N 
ATOM     22  H   LIG    1        2.350  -2.370  -0.893  0.00  0.00    +0.155 HD
BRANCH  21  25
ATOM     23  C   LIG    1        5.517  -0.285   1.540  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        4.193  -0.405   1.093  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        3.816  -1.409   0.193  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1        4.812  -2.296  -0.250  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        6.131  -2.192   0.198  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        6.482  -1.189   1.096  0.00  0.00    +0.015 A 
BRANCH  23  30
ATOM     29  C   LIG    1        6.993   2.019   1.623  0.00  0.00    +0.090 C 
ATOM     30  S   LIG    1        5.942   1.006   2.696  0.00  0.00    -0.129 S 
ENDBRANCH  23  30
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 4