REMARK  Name = BDB004600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.169  -1.665  -0.940  0.00  0.00    -0.324 N 
ATOM      2  H   LIG    1        1.546  -1.383  -0.188  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        5.953  -0.394   1.809  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1        5.293  -0.377   0.562  0.00  0.00    +0.088 A 
ATOM      5  C   LIG    1        4.062  -1.056   0.466  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        3.407  -1.009  -0.785  0.00  0.00    +0.130 A 
ATOM      7  N   LIG    1        3.951  -0.400  -1.849  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        5.121   0.205  -1.661  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        3.544  -1.749   1.590  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        4.213  -1.758   2.806  0.00  0.00    +0.002 A 
ATOM     11  N   LIG    1        5.808   0.258  -0.515  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        5.413  -1.077   2.916  0.00  0.00    +0.015 A 
BRANCH   3  16
ATOM     13  N   LIG    1        7.836   0.985   1.032  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        8.728   1.433   1.182  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        7.405   1.008   0.112  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1        7.260   0.296   2.056  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        7.813   0.253   3.150  0.00  0.00    -0.270 OA
ENDBRANCH   3  16
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        1.494  -1.537  -2.228  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.587  -0.327  -2.245  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1       -0.669  -0.375  -1.612  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -1.514   0.737  -1.605  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1       -1.086   1.917  -2.224  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        0.161   1.980  -2.849  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        0.994   0.864  -2.859  0.00  0.00    +0.005 A 
BRANCH  21  25
ATOM     25  N   LIG    1       -2.776   0.757  -0.975  0.00  0.00    -0.269 N 
ATOM     26  H   LIG    1       -3.310   1.602  -1.097  0.00  0.00    +0.156 HD
ATOM     27  C   LIG    1       -3.490  -0.317  -0.497  0.00  0.00    +0.306 C 
ATOM     28  N   LIG    1       -4.626   0.028   0.236  0.00  0.00    -0.285 N 
ATOM     29  C   LIG    1       -5.486  -1.075   0.664  0.00  0.00    +0.109 C 
ATOM     30  C   LIG    1       -6.712  -0.618   1.455  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1       -7.318   0.641   0.849  0.00  0.00    +0.003 C 
ATOM     32  C   LIG    1       -6.293   1.773   0.718  0.00  0.00    +0.019 C 
ATOM     33  C   LIG    1       -4.851   1.307   0.907  0.00  0.00    +0.109 C 
ATOM     34  O   LIG    1       -3.200  -1.494  -0.700  0.00  0.00    -0.252 OA
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5