REMARK  Name = BDB004573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.544   0.814  -0.108  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        3.357   0.254   0.411  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        2.147   0.589  -0.226  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.970   0.028   0.312  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        0.990  -0.798   1.368  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        2.182  -1.063   1.896  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        2.148   1.442  -1.359  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        3.327   1.980  -1.855  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.357  -0.577   1.479  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        4.522   1.669  -1.228  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        5.995  -0.277   1.551  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        5.168  -0.713   1.949  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        6.905  -0.465   1.946  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        5.898   0.552   0.474  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        6.909   1.064   0.004  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.278   0.374  -0.263  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -0.364   1.377  -0.121  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.462  -0.315   0.267  0.00  0.00    +0.102 C 
ATOM     19  C   LIG    1       -2.769   0.349  -0.179  0.00  0.00    -0.024 A 
ATOM     20  C   LIG    1       -3.963  -0.345   0.126  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1       -5.209   0.205  -0.197  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -5.280   1.434  -0.848  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.111   2.117  -1.174  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.860  -1.671   0.834  0.00  0.00    +0.035 C 
ATOM     25  C   LIG    1       -2.760  -2.543   0.226  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -2.863   1.581  -0.842  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -1.508  -1.775  -0.228  0.00  0.00    +0.027 C 
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 3