REMARK  Name = BDB028871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.771   3.463   1.050  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.511   2.252   0.436  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1        1.702   1.512   0.466  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1        1.761   0.210  -0.106  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        0.638  -0.272  -0.669  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -0.600   0.572  -0.649  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1        2.692   2.217   1.098  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -0.637   1.771  -0.124  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        2.124   3.374   1.429  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        0.285   5.866   0.533  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -0.181   4.601   1.257  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1       -0.406   4.886   2.743  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1       -1.779   0.122  -1.194  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1       -2.543   0.775  -0.984  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.212  -1.261  -1.155  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.664  -1.394  -1.646  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -4.668  -0.760  -0.662  0.00  0.00    +0.133 C 
ATOM     18  C   LIG    1       -6.115  -1.045  -1.105  0.00  0.00    +0.112 C 
ATOM     19  N   LIG    1       -6.390  -2.472  -1.285  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1       -6.277  -2.956  -0.394  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -5.478  -3.052  -2.271  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -4.016  -2.874  -1.864  0.00  0.00    +0.023 C 
BRANCH  17  23
ATOM     23  O   LIG    1       -4.446   0.649  -0.600  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1       -5.090   1.024   0.028  0.00  0.00    +0.210 HD
ENDBRANCH  17  23
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   4  25
ATOM     25  N   LIG    1        2.939  -0.538  -0.100  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1        2.846  -1.527  -0.333  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        4.113  -0.317   0.742  0.00  0.00    +0.160 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.103  -1.458   0.750  0.00  0.00    +0.080 A 
ATOM     29  N   LIG    1        4.725  -2.706   0.416  0.00  0.00    -0.175 NA
ATOM     30  N   LIG    1        5.855  -3.428   0.535  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1        5.829  -4.840   0.243  0.00  0.00    +0.172 C 
ATOM     32  C   LIG    1        6.930  -2.694   0.938  0.00  0.00    +0.108 A 
ATOM     33  C   LIG    1        6.476  -1.405   1.087  0.00  0.00    +0.046 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 8