REMARK  Name = BDB060495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.674  -0.289  -0.204  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1       -3.324   0.826  -0.691  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1       -2.872   1.353  -1.429  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -3.277  -1.212   0.336  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        1.565  -0.596  -0.851  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        0.953   0.661  -0.809  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -0.424   0.785  -0.598  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -1.206  -0.362  -0.433  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -0.594  -1.621  -0.458  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        0.785  -1.737  -0.670  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1        2.913  -0.556  -1.063  0.00  0.00    -0.492 OA
BRANCH  11  12
ATOM     12  C   LIG    1        3.639  -1.781  -1.155  0.00  0.00    +0.229 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.067  -2.300   0.219  0.00  0.00    +0.041 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.793  -1.274   1.098  0.00  0.00    +0.003 C 
BRANCH  14  15
ATOM     15  C   LIG    1        6.124  -0.802   0.507  0.00  0.00    -0.000 C 
BRANCH  15  17
ATOM     16  C   LIG    1        7.342  -0.369   2.710  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        6.854   0.212   1.392  0.00  0.00    -0.003 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   2  18
ATOM     18  C   LIG    1       -4.782   0.942  -0.589  0.00  0.00    +0.164 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -5.358   0.077  -1.727  0.00  0.00    +0.256 C 
ATOM     20  N   LIG    1       -5.532  -1.249  -1.381  0.00  0.00    -0.196 N 
ATOM     21  H   LIG    1       -4.900  -1.648  -0.679  0.00  0.00    +0.182 HD
ATOM     22  O   LIG    1       -5.563   0.486  -2.870  0.00  0.00    -0.272 OA
BRANCH  20  23
ATOM     23  O   LIG    1       -5.861  -2.099  -2.469  0.00  0.00    -0.295 OA
ATOM     24  H   LIG    1       -5.922  -1.469  -3.220  0.00  0.00    +0.241 HD
ENDBRANCH  20  23
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -5.230   2.416  -0.700  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -4.552   3.289   0.364  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -6.751   2.543  -0.551  0.00  0.00    +0.009 C 
ENDBRANCH  18  25
ENDBRANCH   2  18
TORSDOF 11