REMARK  Name = BDB027970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.604  -0.296  -1.044  0.00  0.00    -0.303 N 
ATOM      2  H   LIG    1       -0.525  -0.276  -2.062  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   1  12
ATOM      3  C   LIG    1        2.011  -1.149  -2.062  0.00  0.00    +0.152 C 
ATOM      4  N   LIG    1        1.755  -0.543  -0.779  0.00  0.00    -0.315 N 
ATOM      5  C   LIG    1        2.693  -0.262   0.188  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1        1.945   0.271   1.234  0.00  0.00    +0.091 A 
ATOM      7  C   LIG    1        2.591   0.671   2.413  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        3.980   0.524   2.505  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        4.711  -0.011   1.443  0.00  0.00    +0.002 A 
ATOM     10  N   LIG    1        0.612   0.321   0.914  0.00  0.00    -0.214 NA
ATOM     11  C   LIG    1        4.084  -0.416   0.259  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        0.519  -0.161  -0.303  0.00  0.00    +0.197 A 
ENDBRANCH   1  12
BRANCH   1  13
ATOM     13  C   LIG    1       -1.817   0.389  -0.579  0.00  0.00    +0.160 C 
ATOM     14  C   LIG    1       -2.759   0.601  -1.774  0.00  0.00    +0.240 C 
ATOM     15  O   LIG    1       -2.360   0.615  -2.940  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -4.087   0.789  -1.481  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -4.700   0.915  -2.275  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -4.713   0.509  -0.293  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -5.937   0.515  -0.208  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -3.819   0.243   0.894  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -2.537  -0.455   0.471  0.00  0.00    +0.041 C 
ENDBRANCH   1  13
TORSDOF 2