REMARK  Name = BDB059986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.922   0.958   0.185  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -3.221  -0.271   0.079  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -1.806  -0.226  -0.046  0.00  0.00    +0.085 A 
ATOM      4  C   LIG    1       -1.115  -1.448  -0.172  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -1.798  -2.678  -0.160  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -3.176  -2.717  -0.025  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.147   0.962  -0.028  0.00  0.00    -0.254 NA
ATOM      8  C   LIG    1       -1.843   2.105   0.140  0.00  0.00    +0.113 A 
ATOM      9  C   LIG    1       -3.879  -1.524   0.093  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.209   2.149   0.269  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        0.378  -1.536  -0.311  0.00  0.00    +0.247 C 
ATOM     12  N   LIG    1        1.079  -0.360  -0.452  0.00  0.00    -0.300 N 
ATOM     13  H   LIG    1        0.547   0.485  -0.237  0.00  0.00    +0.150 HD
ATOM     14  O   LIG    1        0.937  -2.631  -0.307  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1        2.521  -0.318  -0.290  0.00  0.00    +0.160 C 
ATOM     16  C   LIG    1        2.894   0.056   1.154  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        2.113   0.040   2.103  0.00  0.00    -0.273 OA
ATOM     18  N   LIG    1        4.205   0.432   1.343  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1        4.433   0.693   2.292  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1        5.017   0.988   0.388  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1        6.003   1.649   0.703  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        4.646   0.725  -1.052  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1        3.137   0.706  -1.236  0.00  0.00    +0.041 C 
ENDBRANCH  12  15
ENDBRANCH   4  11
BRANCH   1  24
ATOM     24  N   LIG    1       -5.314   1.036   0.427  0.00  0.00    -0.357 N 
ATOM     25  H   LIG    1       -5.837   0.271   0.015  0.00  0.00    +0.142 HD
ATOM     26  H   LIG    1       -5.501   1.079   1.428  0.00  0.00    +0.142 HD
ENDBRANCH   1  24
TORSDOF 3