REMARK  Name = BDB056331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.304  -1.329   1.505  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -2.503  -0.944   0.884  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -3.717  -1.128   1.573  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -3.643  -1.698   2.838  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -4.914  -1.803   3.330  0.00  0.00    -0.345 N 
ATOM      6  H   LIG    1       -5.130  -2.184   4.239  0.00  0.00    +0.167 HD
ATOM      7  C   LIG    1       -5.811  -1.317   2.413  0.00  0.00    +0.093 A 
ATOM      8  N   LIG    1       -2.541  -2.091   3.500  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1       -5.101  -0.885   1.306  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -1.404  -1.880   2.788  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -5.735  -0.287   0.142  0.00  0.00    -0.015 A 
ATOM     12  C   LIG    1       -5.249   0.929  -0.368  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -5.860   1.504  -1.500  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -6.939   0.846  -2.089  0.00  0.00    +0.046 A 
ATOM     15  N   LIG    1       -7.342   1.610  -3.162  0.00  0.00    -0.361 N 
ATOM     16  H   LIG    1       -8.108   1.374  -3.776  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1       -6.557   2.727  -3.269  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -7.444  -0.364  -1.601  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -5.630   2.689  -2.252  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1       -6.822  -0.916  -0.475  0.00  0.00    +0.010 A 
ENDBRANCH   9  11
BRANCH   1  24
ATOM     21  C   LIG    1        2.505  -0.833  -0.447  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1        1.610   0.239  -0.339  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        0.375   0.077   0.295  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -0.005  -1.161   0.836  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        0.892  -2.234   0.714  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        2.129  -2.075   0.079  0.00  0.00    +0.005 A 
BRANCH  21  27
ATOM     27  C   LIG    1        3.834  -0.667  -1.156  0.00  0.00    +0.119 C 
BRANCH  27  32
ATOM     28  C   LIG    1        8.248   1.685   0.996  0.00  0.00    +0.105 C 
ATOM     29  N   LIG    1        7.553   0.798   0.067  0.00  0.00    -0.303 NA
ATOM     30  C   LIG    1        6.629  -0.117   0.766  0.00  0.00    +0.099 C 
ATOM     31  C   LIG    1        5.139   0.287   0.696  0.00  0.00    +0.100 C 
ATOM     32  N   LIG    1        4.614   0.483  -0.673  0.00  0.00    -0.296 NA
ATOM     33  C   LIG    1        5.703   0.792  -1.625  0.00  0.00    +0.100 C 
ATOM     34  C   LIG    1        6.853   1.584  -0.970  0.00  0.00    +0.099 C 
ENDBRANCH  27  32
ENDBRANCH  21  27
ENDBRANCH   1  24
TORSDOF 4