REMARK  Name = BDB005225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.336   3.088  -0.215  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        1.947   2.021   0.802  0.00  0.00    +0.104 C 
ATOM      3  N   LIG    1        1.371   0.841   0.174  0.00  0.00    -0.288 N 
ATOM      4  C   LIG    1        2.063  -0.317   0.505  0.00  0.00    +0.248 C 
ATOM      5  O   LIG    1        1.758  -1.455   0.202  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1        3.228   0.063   1.326  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        4.253  -0.685   1.898  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        5.189   0.024   2.681  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        5.099   1.412   2.875  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.067   2.138   2.290  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        3.141   1.454   1.515  0.00  0.00    -0.014 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.019   0.856  -0.396  0.00  0.00    +0.079 C 
ATOM     13  C   LIG    1       -1.032   0.380   0.615  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -2.369   0.173  -0.094  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1       -2.321  -0.873  -1.131  0.00  0.00    -0.297 NA
ATOM     16  C   LIG    1       -0.963  -1.140  -1.630  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -0.084   0.105  -1.734  0.00  0.00    +0.038 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.264  -0.604  -2.226  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.683  -0.668  -1.762  0.00  0.00    +0.030 A 
ATOM     20  N   LIG    1       -5.126  -1.688  -0.952  0.00  0.00    -0.363 N 
ATOM     21  H   LIG    1       -4.528  -2.422  -0.590  0.00  0.00    +0.165 HD
ATOM     22  C   LIG    1       -6.457  -1.519  -0.682  0.00  0.00    +0.083 A 
ATOM     23  C   LIG    1       -6.880  -0.382  -1.331  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1       -5.762   0.156  -2.014  0.00  0.00    +0.024 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  25
ATOM     25  C   LIG    1        4.486  -2.153   1.781  0.00  0.00    +0.242 C 
ATOM     26  O   LIG    1        5.336  -2.708   2.472  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1        3.772  -2.893   0.891  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1        2.922  -2.553   0.444  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        3.890  -3.895   0.928  0.00  0.00    +0.145 HD
ENDBRANCH   7  25
TORSDOF 4