REMARK  Name = BDB062138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.090  -1.484  -0.400  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -0.288  -1.364  -0.533  0.00  0.00    +0.077 A 
ATOM      3  N   LIG    1       -0.701  -2.654  -0.801  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1       -2.040  -3.096  -1.108  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1        0.396  -3.468  -0.768  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1        1.495  -2.790  -0.539  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.173  -0.195  -0.504  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -2.103   0.036   0.550  0.00  0.00    -0.007 A 
ATOM      9  C   LIG    1       -2.953   1.176   0.490  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -3.879   1.385   1.543  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -3.970   0.516   2.629  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.134  -0.585   2.698  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.839   2.059  -0.614  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1       -1.908   1.821  -1.631  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.215  -0.819   1.675  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -1.085   0.704  -1.576  0.00  0.00    +0.012 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -3.668   3.227  -0.735  0.00  0.00    +0.100 C 
ATOM     18  N   LIG    1       -4.340   4.167  -0.843  0.00  0.00    -0.191 NA
ENDBRANCH  13  17
ENDBRANCH   2   7
BRANCH   1  21
ATOM     19  C   LIG    1        2.782  -0.656  -2.629  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        2.838   0.029  -1.288  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1        2.032  -0.394  -0.201  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        2.166   0.231   1.061  0.00  0.00    -0.040 A 
ATOM     23  C   LIG    1        1.371  -0.183   2.269  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        3.058   1.308   1.202  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        3.838   1.730   0.126  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        3.740   1.092  -1.110  0.00  0.00    +0.015 A 
BRANCH  25  27
ATOM     27  C   LIG    1        4.785   2.853   0.288  0.00  0.00    +0.258 C 
ATOM     28  O   LIG    1        4.902   3.462   1.344  0.00  0.00    -0.296 OA
ENDBRANCH  25  27
ENDBRANCH   1  21
TORSDOF 4