REMARK  Name = BDB046652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.752  -0.311   0.327  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        4.508  -0.375  -0.326  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        4.480  -0.250  -1.712  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1        3.151  -0.356  -2.038  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        2.777  -0.330  -2.972  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        2.416  -0.510  -0.885  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1        5.622  -0.063  -2.497  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        6.848   0.002  -1.827  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1        3.227  -0.515   0.158  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1        6.919  -0.119  -0.438  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.956  -0.653  -0.837  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        0.140  -0.514  -1.969  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -1.250  -0.660  -1.875  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -1.857  -0.943  -0.645  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1       -1.046  -1.083   0.487  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        0.341  -0.937   0.391  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -3.359  -1.119  -0.543  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.993  -0.210   0.429  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1       -3.944   1.189  -0.028  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -4.567   2.131   1.004  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -5.996   1.723   1.339  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -6.048   0.253   1.734  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1       -5.380  -0.630   0.679  0.00  0.00    +0.085 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  27
ATOM     24  N   LIG    1        6.633   0.457   2.436  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1        6.569   0.445   3.446  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        6.876   1.333   1.994  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1        5.841  -0.458   1.791  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1        5.268  -1.343   2.410  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 4