REMARK  Name = BDB065249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.560   0.786  -0.538  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        3.217   0.611  -0.204  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        2.771  -0.537   0.499  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        3.700  -1.526   0.849  0.00  0.00    +0.078 A 
ATOM      5  N   LIG    1        3.358  -2.644   1.492  0.00  0.00    -0.218 NA
ATOM      6  C   LIG    1        2.057  -2.789   1.787  0.00  0.00    +0.234 A 
ATOM      7  N   LIG    1        1.079  -1.911   1.514  0.00  0.00    -0.203 NA
ATOM      8  C   LIG    1        5.033  -1.336   0.510  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1        1.438  -0.784   0.882  0.00  0.00    +0.131 A 
ATOM     10  C   LIG    1        5.473  -0.195  -0.173  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        6.193   2.148  -1.601  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        4.841   1.942  -1.208  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   6  13
ATOM     13  C   LIG    1        1.673  -3.997   2.469  0.00  0.00    +0.140 C 
ATOM     14  N   LIG    1        1.361  -4.972   3.022  0.00  0.00    -0.188 NA
ENDBRANCH   6  13
BRANCH   9  15
ATOM     15  N   LIG    1        0.445   0.170   0.572  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        0.746   1.069   0.943  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -0.940  -0.144   0.960  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1       -1.576  -1.104  -0.049  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -3.046  -1.336   0.284  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1       -3.843  -0.115   0.408  0.00  0.00    -0.300 NA
ATOM     21  C   LIG    1       -3.228   0.890   1.271  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1       -1.748   1.158   0.992  0.00  0.00    +0.037 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.490   0.342  -0.829  0.00  0.00    +0.050 C 
ATOM     24  C   LIG    1       -5.845   0.979  -0.483  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -3.686   1.299  -1.711  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  15  17
ENDBRANCH   9  15
TORSDOF 5