REMARK  Name = BDB048036
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.060  -2.769  -0.294  0.00  0.00    +0.009 C 
ATOM      2  C   LIG    1        1.006  -1.832  -0.866  0.00  0.00    +0.009 C 
ATOM      3  C   LIG    1        0.673  -0.317  -0.816  0.00  0.00    +0.095 C 
ATOM      4  C   LIG    1        1.308   0.375   0.409  0.00  0.00    +0.130 C 
ATOM      5  N   LIG    1        2.778   0.248   0.394  0.00  0.00    -0.299 N 
ATOM      6  C   LIG    1        3.661   1.188   0.923  0.00  0.00    +0.229 C 
ATOM      7  O   LIG    1        4.878   1.071   0.775  0.00  0.00    -0.274 OA
ATOM      8  C   LIG    1        3.330  -0.951  -0.241  0.00  0.00    +0.108 C 
ATOM      9  C   LIG    1        2.358  -2.127  -0.176  0.00  0.00    +0.024 C 
ENDROOT
BRANCH   3  10
ATOM     10  N   LIG    1       -0.737   0.022  -1.103  0.00  0.00    -0.313 N 
ATOM     11  C   LIG    1       -1.153  -0.067  -2.496  0.00  0.00    +0.131 C 
BRANCH  10  12
ATOM     12  C   LIG    1       -1.702   0.133  -0.109  0.00  0.00    +0.134 A 
ATOM     13  C   LIG    1       -3.044   0.574  -0.289  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1       -3.860   0.593   0.837  0.00  0.00    +0.143 A 
ATOM     15  N   LIG    1       -5.103   1.036   0.478  0.00  0.00    -0.346 N 
ATOM     16  H   LIG    1       -5.870   1.134   1.127  0.00  0.00    +0.167 HD
ATOM     17  C   LIG    1       -5.123   1.326  -0.858  0.00  0.00    +0.085 A 
ATOM     18  N   LIG    1       -3.534   0.249   2.088  0.00  0.00    -0.218 NA
ATOM     19  C   LIG    1       -2.256  -0.132   2.163  0.00  0.00    +0.225 A 
ATOM     20  C   LIG    1       -3.866   1.056  -1.357  0.00  0.00    +0.032 A 
ATOM     21  N   LIG    1       -1.352  -0.194   1.167  0.00  0.00    -0.220 NA
ENDBRANCH  10  12
ENDBRANCH   3  10
BRANCH   6  22
ATOM     22  C   LIG    1        3.049   2.358   1.667  0.00  0.00    +0.214 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.039   3.093   2.458  0.00  0.00    +0.072 C 
ATOM     24  N   LIG    1        4.768   3.715   3.114  0.00  0.00    -0.196 NA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4