REMARK  Name = BDB008462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.869  -0.960   0.034  0.00  0.00    -0.291 NA
ATOM      2  C   LIG    1       -0.171  -0.825  -1.264  0.00  0.00    +0.138 C 
ATOM      3  C   LIG    1        1.234  -0.385  -1.053  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.951  -0.547   0.110  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        1.358  -1.185   1.243  0.00  0.00    +0.085 A 
ATOM      6  N   LIG    1        1.930  -1.350   2.393  0.00  0.00    -0.174 NA
ATOM      7  N   LIG    1        3.182  -0.952   2.763  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1        3.392  -1.197   3.728  0.00  0.00    +0.192 HD
ATOM      9  C   LIG    1        4.265  -0.330   2.173  0.00  0.00    +0.272 A 
ATOM     10  C   LIG    1        4.306   0.155   0.783  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        5.458   0.786   0.277  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        5.503   1.265  -1.035  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        4.402   1.137  -1.888  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        3.264   0.509  -1.374  0.00  0.00    +0.048 A 
ATOM     15  O   LIG    1        5.274  -0.166   2.867  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        3.212   0.018  -0.065  0.00  0.00    +0.021 A 
ATOM     17  N   LIG    1        2.039   0.248  -1.959  0.00  0.00    -0.356 N 
ATOM     18  H   LIG    1        1.787   0.502  -2.906  0.00  0.00    +0.166 HD
ATOM     19  C   LIG    1       -0.059  -1.753   1.011  0.00  0.00    +0.142 C 
ENDROOT
BRANCH   1  20
ATOM     20  C   LIG    1       -1.294   0.321   0.617  0.00  0.00    +0.086 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.429   1.047  -0.134  0.00  0.00    +0.021 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -4.327  -0.057   1.175  0.00  0.00    +0.010 C 
ATOM     23  C   LIG    1       -3.819   0.353  -0.217  0.00  0.00    -0.037 C 
ATOM     24  C   LIG    1       -4.814   1.369  -0.818  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -3.800  -0.883  -1.132  0.00  0.00    +0.010 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 3