REMARK  Name = BDB058461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.714  -4.653  -0.537  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -0.738  -3.280  -0.127  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        0.367  -2.421  -0.110  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.067  -1.166   0.313  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.799  -0.095   0.419  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        2.151  -0.291   0.074  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        2.574  -1.581  -0.325  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -1.443  -1.252   0.570  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        1.683  -2.659  -0.431  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -1.885  -2.562   0.272  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -3.031  -2.977   0.333  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        3.045   0.793   0.223  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        2.575   1.667   0.441  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.298   1.044  -0.394  0.00  0.00    +0.146 A 
ATOM     15  C   LIG    1        5.060   2.126   0.043  0.00  0.00    +0.118 A 
ATOM     16 CL   LIG    1        4.485   3.197   1.269  0.00  0.00    -0.077 Cl
ATOM     17  C   LIG    1        6.280   2.285  -0.585  0.00  0.00    +0.153 A 
ATOM     18 CL   LIG    1        7.371   3.564  -0.201  0.00  0.00    -0.060 Cl
ATOM     19  N   LIG    1        6.755   1.484  -1.556  0.00  0.00    -0.222 NA
ATOM     20  C   LIG    1        5.952   0.478  -1.898  0.00  0.00    +0.225 A 
ATOM     21  N   LIG    1        4.751   0.218  -1.362  0.00  0.00    -0.219 NA
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  22
ATOM     22  C   LIG    1       -2.309  -0.162   0.951  0.00  0.00    +0.130 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.898   0.536  -0.278  0.00  0.00    +0.056 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.869   1.682   0.056  0.00  0.00    +0.062 C 
ATOM     25  C   LIG    1       -3.173   2.834   0.784  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -4.522   2.206  -1.227  0.00  0.00    +0.041 C 
BRANCH  24  27
ATOM     27  O   LIG    1       -4.903   1.200   0.913  0.00  0.00    -0.389 OA
ATOM     28  H   LIG    1       -5.359   0.468   0.459  0.00  0.00    +0.210 HD
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 6