REMARK  Name = BDB032451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.075   0.891  -2.147  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1       -0.137   0.295  -2.511  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -1.320   0.820  -2.012  0.00  0.00    +0.215 A 
ATOM      4  N   LIG    1       -1.379   1.883  -1.187  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1       -0.203   2.455  -0.854  0.00  0.00    +0.115 A 
ATOM      6  C   LIG    1        1.029   2.009  -1.308  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.372   0.361  -2.712  0.00  0.00    +0.137 C 
BRANCH   7   8
ATOM      8  N   LIG    1        3.519   0.605  -1.840  0.00  0.00    -0.339 N 
ATOM      9  H   LIG    1        4.360   0.760  -2.390  0.00  0.00    +0.146 HD
BRANCH   8  13
ATOM     10  C   LIG    1        6.558  -0.595   1.799  0.00  0.00    +0.124 A 
ATOM     11  C   LIG    1        5.335  -0.823   1.119  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1        5.026  -0.007  -0.000  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        3.815  -0.221  -0.736  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        2.911  -1.186  -0.267  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        3.207  -1.983   0.834  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        5.948   1.005  -0.328  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        7.109   1.147   0.410  0.00  0.00    +0.113 A 
ATOM     18  C   LIG    1        4.409  -1.813   1.510  0.00  0.00    +0.012 A 
ATOM     19  N   LIG    1        7.431   0.365   1.451  0.00  0.00    -0.240 NA
BRANCH  10  20
ATOM     20  N   LIG    1        6.933  -1.369   2.911  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        6.976  -2.345   2.641  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        6.237  -1.259   3.641  0.00  0.00    +0.144 HD
ENDBRANCH  10  20
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   3  23
ATOM     23  O   LIG    1       -2.479   0.173  -2.391  0.00  0.00    -0.476 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.687   0.803  -1.954  0.00  0.00    +0.234 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.085   0.355  -0.540  0.00  0.00    +0.035 C 
ATOM     26  C   LIG    1       -5.375   1.071  -0.106  0.00  0.00    +0.081 C 
ATOM     27  C   LIG    1       -5.960   0.477   1.130  0.00  0.00    +0.110 A 
ATOM     28  N   LIG    1       -5.604  -0.768   1.580  0.00  0.00    -0.334 N 
ATOM     29  C   LIG    1       -6.331  -1.042   2.700  0.00  0.00    +0.107 A 
ATOM     30  C   LIG    1       -7.118   0.071   2.885  0.00  0.00    +0.130 A 
ATOM     31  C   LIG    1       -4.589  -1.602   0.975  0.00  0.00    +0.123 C 
ATOM     32  N   LIG    1       -6.883   1.004   1.906  0.00  0.00    -0.241 NA
ATOM     33  C   LIG    1       -4.263  -1.174  -0.457  0.00  0.00    +0.029 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7