REMARK  Name = BDB055083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.154   1.291   0.732  0.00  0.00    -0.285 N 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.514   2.559   0.405  0.00  0.00    +0.291 A 
ATOM      3  O   LIG    1       -2.811   2.936   0.655  0.00  0.00    -0.424 OA
ATOM      4  C   LIG    1       -2.876   4.225   0.223  0.00  0.00    +0.157 A 
ATOM      5  C   LIG    1       -1.628   4.569  -0.263  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1       -1.431   5.859  -0.772  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1       -2.518   6.746  -0.764  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.767   6.357  -0.263  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -3.979   5.070   0.249  0.00  0.00    +0.048 A 
ATOM     10  N   LIG    1       -0.774   3.505  -0.140  0.00  0.00    -0.195 NA
ENDBRANCH   1   2
BRANCH   1  11
ATOM     11  C   LIG    1       -1.979   0.542   1.681  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -3.118  -0.207   0.979  0.00  0.00    +0.019 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.615  -1.354   0.097  0.00  0.00    +0.002 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.737  -2.092  -0.640  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.796  -2.758   0.245  0.00  0.00    -0.000 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -5.323  -4.524   1.963  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -4.221  -3.809   1.195  0.00  0.00    -0.003 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   1  18
ATOM     18  C   LIG    1        0.274   0.961   0.656  0.00  0.00    +0.114 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.744   0.786  -0.796  0.00  0.00    +0.054 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.191   0.358  -0.866  0.00  0.00    -0.046 A 
ATOM     21  C   LIG    1        2.532  -0.995  -0.987  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        3.873  -1.390  -1.032  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        4.889  -0.437  -0.960  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        4.550   0.910  -0.820  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        3.213   1.309  -0.777  0.00  0.00    +0.007 A 
BRANCH  23  26
ATOM     26  O   LIG    1        6.231  -0.688  -0.976  0.00  0.00    -0.478 OA
BRANCH  26  27
ATOM     27  C   LIG    1        6.687  -1.921  -1.531  0.00  0.00    +0.278 C 
ATOM     28  C   LIG    1        6.939  -2.912  -0.400  0.00  0.00    +0.064 C 
BRANCH  27  29
ATOM     29  C   LIG    1        8.006  -1.674  -2.278  0.00  0.00    +0.346 C 
ATOM     30  O   LIG    1        8.663  -0.644  -2.246  0.00  0.00    -0.247 OA
BRANCH  29  31
ATOM     31  O   LIG    1        8.408  -2.739  -3.022  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1        7.799  -3.501  -3.013  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 14