REMARK  Name = BDB062444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.704  -0.246  -1.415  0.00  0.00    +0.073 A 
ATOM      2  N   LIG    1       -0.632  -0.358  -1.191  0.00  0.00    -0.228 NA
ATOM      3  C   LIG    1       -1.476  -0.304  -2.253  0.00  0.00    +0.155 A 
ATOM      4  C   LIG    1       -1.013  -0.182  -3.563  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1        0.354  -0.073  -3.784  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        1.224  -0.102  -2.700  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.506   0.445   1.062  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        2.699   0.517  -0.081  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        1.562  -0.299  -0.215  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.258  -1.170   0.849  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        2.044  -1.222   2.004  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.167  -0.408   2.116  0.00  0.00    +0.013 A 
BRANCH   7  15
ATOM     13  C   LIG    1        7.005   1.742   1.787  0.00  0.00    +0.132 C 
ATOM     14  N   LIG    1        5.913   0.818   1.533  0.00  0.00    -0.304 N 
ATOM     15  C   LIG    1        4.678   1.347   1.163  0.00  0.00    +0.246 C 
ATOM     16  O   LIG    1        4.497   2.538   0.923  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1        6.279  -0.588   1.420  0.00  0.00    +0.132 C 
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  N   LIG    1       -2.887  -0.457  -2.038  0.00  0.00    -0.217 N 
ATOM     19  C   LIG    1       -3.651  -0.364  -0.861  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1       -4.712  -1.252  -1.089  0.00  0.00    +0.100 A 
ATOM     21  C   LIG    1       -4.703  -1.448  -2.484  0.00  0.00    +0.150 A 
ATOM     22  N   LIG    1       -3.674  -0.856  -3.081  0.00  0.00    -0.172 NA
BRANCH  19  23
ATOM     23  C   LIG    1       -3.356   0.566   0.328  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.684   1.159   0.876  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1       -2.653  -0.191   1.461  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -2.533   1.816  -0.068  0.00  0.00    +0.017 C 
ENDBRANCH  19  23
BRANCH  20  27
ATOM     27  C   LIG    1       -5.674  -1.814  -0.167  0.00  0.00    +0.340 C 
ATOM     28  O   LIG    1       -5.567  -1.891   1.048  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -6.768  -2.335  -0.768  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -7.289  -2.675  -0.011  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  20  27
ENDBRANCH   3  18
TORSDOF 6