REMARK  Name = BDB001060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.043   1.943   2.048  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -2.281   1.310   1.902  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -3.294   1.909   1.139  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -3.056   3.171   0.571  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.823   3.809   0.737  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.813   3.197   1.475  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  13
ATOM      7  O   LIG    1        6.002  -0.072   1.085  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        4.942  -0.379   0.545  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        3.697  -0.078   1.089  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        2.429  -0.117   0.348  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1        1.445   0.977   0.796  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        1.214   0.973   2.247  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        0.006   1.288   2.857  0.00  0.00    +0.247 C 
ATOM     14  O   LIG    1       -0.238   1.055   4.038  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        2.282   0.416   3.082  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        3.661   0.523   2.425  0.00  0.00    +0.127 C 
BRANCH   8  17
ATOM     17  C   LIG    1        5.005  -1.100  -0.747  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        4.340  -2.319  -0.922  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        4.430  -2.986  -2.144  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.193  -2.444  -3.181  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.877  -1.241  -2.996  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        5.790  -0.570  -1.776  0.00  0.00    +0.013 A 
ENDBRANCH   8  17
ENDBRANCH   1  13
BRANCH   3  23
ATOM     23  C   LIG    1       -4.633   1.227   0.969  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.514  -0.190   0.420  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1       -4.269  -0.412  -1.029  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -4.135  -1.732  -1.455  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -3.897  -2.028  -2.804  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -3.795  -0.994  -3.732  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -3.931   0.329  -3.313  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -4.248  -2.821  -0.472  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1       -4.126  -3.995  -0.802  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -4.498  -2.441   0.823  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1       -4.578  -3.178   1.518  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1       -4.168   0.622  -1.967  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1       -4.622  -1.165   1.274  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 4