REMARK  Name = BDB052835
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.507  -0.764   0.970  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1        0.247  -2.081   1.447  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -1.000  -2.476   0.953  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1       -1.467  -3.793   1.155  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -0.701  -4.674   1.926  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.512  -4.274   2.467  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.537  -1.393   0.250  0.00  0.00    -0.280 N 
ATOM      8  C   LIG    1        0.999  -2.988   2.226  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.621  -0.340   0.280  0.00  0.00    +0.219 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        2.119   0.184   2.369  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        1.719   0.006   1.220  0.00  0.00    +0.252 C 
ATOM     12  N   LIG    1        2.408   0.500   0.117  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        3.521   1.416   0.347  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        3.850   2.252  -0.901  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        4.125   1.473  -2.122  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        5.132   1.359  -2.236  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        3.501   0.139  -2.088  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        2.200   0.064  -1.268  0.00  0.00    +0.123 C 
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  C   LIG    1       -2.828  -1.348  -0.367  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -3.010  -0.676  -1.584  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.272  -0.631  -2.181  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.360  -1.247  -1.566  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.190  -1.906  -0.350  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.929  -1.956   0.251  0.00  0.00    +0.026 A 
ENDBRANCH   7  19
BRANCH   9  25
ATOM     25  O   LIG    1       -0.934   0.839  -0.279  0.00  0.00    -0.439 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -0.618   2.035   0.320  0.00  0.00    +0.130 A 
ATOM     27  C   LIG    1       -0.245   3.081  -0.525  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        0.073   4.330   0.008  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        0.003   4.537   1.385  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -0.394   3.499   2.228  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -0.715   2.249   1.696  0.00  0.00    +0.046 A 
ENDBRANCH  25  26
ENDBRANCH   9  25
TORSDOF 4