REMARK  Name = BDB046289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.151   0.064   0.045  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        2.339  -1.049  -0.166  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        0.953  -0.901  -0.160  0.00  0.00    +0.070 A 
ATOM      4  N   LIG    1        0.123  -2.003  -0.401  0.00  0.00    -0.320 N 
ATOM      5  H   LIG    1        0.519  -2.917  -0.581  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -1.252  -1.934  -0.412  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1       -1.876  -0.607  -0.149  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -1.061   0.513   0.100  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -1.691   1.745   0.345  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -3.085   1.855   0.339  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.875   0.736   0.090  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.274  -0.497  -0.155  0.00  0.00    +0.014 A 
ATOM     13  O   LIG    1       -1.931  -2.931  -0.632  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        0.398   0.355   0.097  0.00  0.00    +0.095 A 
ATOM     15  N   LIG    1        1.161   1.444   0.360  0.00  0.00    -0.251 NA
ATOM     16  C   LIG    1        2.505   1.263   0.352  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   1  17
ATOM     17  N   LIG    1        4.537  -0.081   0.168  0.00  0.00    -0.357 N 
ATOM     18  H   LIG    1        4.926  -0.861  -0.354  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1        5.064   0.776   0.024  0.00  0.00    +0.142 HD
ENDBRANCH   1  17
TORSDOF 1