REMARK  Name = BDB049879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.492   0.221  -1.986  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1        1.264  -0.311  -0.729  0.00  0.00    +0.168 A 
ATOM      3  N   LIG    1        0.138   0.352  -0.213  0.00  0.00    -0.216 N 
ATOM      4  C   LIG    1       -0.367   0.038   1.064  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        0.275  -0.898   1.791  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        1.455  -1.540   1.158  0.00  0.00    +0.115 A 
ATOM      7  N   LIG    1       -0.330   1.279  -1.089  0.00  0.00    -0.172 NA
ATOM      8  N   LIG    1        1.930  -1.281  -0.022  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1        0.483   1.190  -2.141  0.00  0.00    +0.150 A 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -1.569   0.818   1.542  0.00  0.00    +0.103 C 
ATOM     11  N   LIG    1       -2.019   0.489   2.917  0.00  0.00    -0.308 NA
ATOM     12  H   LIG    1       -2.211  -0.513   2.956  0.00  0.00    +0.123 HD
ATOM     13  C   LIG    1       -3.315   1.170   3.032  0.00  0.00    +0.081 C 
ATOM     14  C   LIG    1       -3.980   0.973   1.679  0.00  0.00    +0.017 C 
ATOM     15  C   LIG    1       -2.848   0.588   0.733  0.00  0.00    +0.026 C 
ENDBRANCH   4  10
BRANCH   1  19
ATOM     16  C   LIG    1        4.520  -1.510  -3.329  0.00  0.00    +0.128 C 
ATOM     17  N   LIG    1        3.371  -1.130  -2.554  0.00  0.00    -0.314 N 
ATOM     18  H   LIG    1        3.260  -1.488  -1.607  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        2.528  -0.115  -2.943  0.00  0.00    +0.249 C 
ATOM     20  O   LIG    1        2.635   0.475  -4.013  0.00  0.00    -0.270 OA
ENDBRANCH   1  19
TORSDOF 2