REMARK  Name = BDB054225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.891  -1.028   1.037  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.127  -2.153   0.315  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        1.315  -1.686   0.419  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        1.306  -0.987   1.771  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.066  -0.259   1.813  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -4.333   0.269  -2.104  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -3.171   0.485  -1.351  0.00  0.00    +0.058 A 
ATOM      8  C   LIG    1       -2.241   1.546  -1.168  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -1.284   1.115  -0.272  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1       -1.607  -0.162   0.110  0.00  0.00    -0.303 N 
ATOM     11  C   LIG    1       -2.747  -0.562  -0.547  0.00  0.00    +0.148 A 
ATOM     12  N   LIG    1       -3.328  -1.770  -0.427  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -4.433  -1.855  -1.191  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1       -4.954  -0.924  -2.013  0.00  0.00    -0.220 NA
BRANCH   6  15
ATOM     15  N   LIG    1       -4.880   1.210  -2.962  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -5.530   0.778  -3.609  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -4.223   1.870  -3.354  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1       -0.247  -3.413   1.005  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1       -1.176  -3.699   0.900  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        2.250  -2.759   0.380  0.00  0.00    -0.386 OA
ATOM     21  H   LIG    1        1.751  -3.547   0.687  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1        2.559  -0.136   2.068  0.00  0.00    +0.176 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.791   1.021   1.114  0.00  0.00    -0.017 A 
ATOM     24  C   LIG    1        3.644   0.912   0.005  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        3.823   1.989  -0.867  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.154   3.190  -0.641  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        2.308   3.317   0.458  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        2.128   2.240   1.329  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
BRANCH  22  29
ATOM     29  O   LIG    1        3.729  -0.962   2.134  0.00  0.00    -0.385 OA
ATOM     30  H   LIG    1        3.603  -1.704   1.508  0.00  0.00    +0.210 HD
ENDBRANCH  22  29
ENDBRANCH   4  22
TORSDOF 7