REMARK  Name = BDB047644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.414  -1.373  -0.234  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        0.756  -0.783   0.284  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        1.976  -0.887  -0.418  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        3.320  -0.450  -0.245  0.00  0.00    +0.103 A 
ATOM      5  N   LIG    1        4.098  -0.788  -1.282  0.00  0.00    -0.170 NA
ATOM      6  N   LIG    1        3.277  -1.479  -2.089  0.00  0.00    -0.266 N 
ATOM      7  C   LIG    1        3.792  -2.028  -3.321  0.00  0.00    +0.173 C 
ATOM      8  C   LIG    1        1.984  -1.567  -1.635  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        0.841  -2.168  -2.178  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -0.351  -2.060  -1.454  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  24
ATOM     11  C   LIG    1       -3.010   2.741  -0.423  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -3.243   1.598  -1.408  0.00  0.00    +0.076 C 
ATOM     13  N   LIG    1       -2.497   0.404  -1.056  0.00  0.00    -0.339 N 
ATOM     14  H   LIG    1       -1.499   0.518  -1.232  0.00  0.00    +0.146 HD
ATOM     15  C   LIG    1       -2.737  -0.366   0.089  0.00  0.00    +0.057 A 
ATOM     16  C   LIG    1       -3.948  -0.392   0.820  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -4.053  -1.207   1.968  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -3.017  -2.035   2.380  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -1.847  -2.071   1.641  0.00  0.00    +0.010 A 
ATOM     20  N   LIG    1       -5.124   0.338   0.556  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1       -5.860   0.280   1.249  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1       -5.520   1.112  -0.482  0.00  0.00    +0.219 C 
ATOM     23  O   LIG    1       -6.631   1.647  -0.417  0.00  0.00    -0.275 OA
ATOM     24  C   LIG    1       -1.692  -1.263   0.499  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.683   1.262  -1.707  0.00  0.00    +0.118 C 
ENDBRANCH   1  24
BRANCH   4  26
ATOM     26  C   LIG    1        3.856   0.300   0.887  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        4.971   1.110   0.908  0.00  0.00    +0.118 A 
ATOM     28  N   LIG    1        5.076   1.573   2.185  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        6.088   2.460   2.705  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        4.110   1.114   3.005  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        3.378   0.324   2.210  0.00  0.00    +0.144 A 
ENDBRANCH   4  26
TORSDOF 2