REMARK  Name = BDB052276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.228  -1.198   0.308  0.00  0.00    +0.053 A 
ATOM      2  C   LIG    1       -0.504  -0.060  -0.141  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        0.895  -0.013  -0.033  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        1.578  -1.090   0.567  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        0.844  -2.181   1.015  0.00  0.00    +0.068 A 
ATOM      6  N   LIG    1        1.768  -3.048   1.527  0.00  0.00    -0.276 N 
ATOM      7  H   LIG    1        1.598  -3.956   1.941  0.00  0.00    +0.189 HD
ATOM      8  N   LIG    1        3.035  -2.614   1.455  0.00  0.00    -0.173 NA
ATOM      9  C   LIG    1        2.939  -1.414   0.863  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1       -0.548  -2.274   0.901  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -6.428  -2.742   0.179  0.00  0.00    +0.105 C 
ATOM     12  N   LIG    1       -5.022  -3.025  -0.098  0.00  0.00    -0.302 NA
ATOM     13  C   LIG    1       -4.188  -2.911   1.119  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1       -3.450  -1.565   1.298  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1       -2.634  -1.200   0.118  0.00  0.00    -0.326 N 
ATOM     16  C   LIG    1       -2.997  -1.917  -1.130  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1       -4.522  -2.147  -1.182  0.00  0.00    +0.103 C 
ENDBRANCH   1  15
BRANCH   2  18
ATOM     18  N   LIG    1       -1.237   0.994  -0.760  0.00  0.00    -0.337 N 
ATOM     19  H   LIG    1       -2.221   0.727  -0.624  0.00  0.00    +0.147 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.010   2.308  -0.150  0.00  0.00    +0.157 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.968   3.334  -0.730  0.00  0.00    +0.058 A 
ATOM     22  N   LIG    1       -2.824   3.955   0.124  0.00  0.00    -0.258 NA
ATOM     23  C   LIG    1       -3.670   4.868  -0.401  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1       -3.710   5.202  -1.744  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -2.831   4.560  -2.606  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -1.947   3.613  -2.097  0.00  0.00    +0.025 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   2  18
BRANCH   9  27
ATOM     27  C   LIG    1        4.062  -0.570   0.571  0.00  0.00    +0.031 C 
ATOM     28  C   LIG    1        5.342  -0.875   0.846  0.00  0.00    +0.010 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.482  -0.005   0.531  0.00  0.00    -0.025 A 
ATOM     30  C   LIG    1        6.443   1.381   0.734  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1        7.558   2.172   0.448  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        8.726   1.585  -0.035  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.782   0.206  -0.225  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        7.668  -0.586   0.062  0.00  0.00    +0.008 A 
ENDBRANCH  28  29
ENDBRANCH   9  27
TORSDOF 6