REMARK  Name = BDB015019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.515   0.198   0.633  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.915  -0.410   0.461  0.00  0.00    +0.166 C 
BRANCH   2   3
ATOM      3  O   LIG    1        1.817  -1.831   0.638  0.00  0.00    -0.387 OA
ATOM      4  H   LIG    1        1.397  -1.966   1.507  0.00  0.00    +0.210 HD
ENDBRANCH   2   3
BRANCH   2   5
ATOM      5  C   LIG    1        2.479  -0.080  -0.941  0.00  0.00    +0.119 C 
BRANCH   5   8
ATOM      6  C   LIG    1        3.846  -1.728  -3.427  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1        4.162  -0.419  -2.686  0.00  0.00    +0.058 C 
ATOM      8  N   LIG    1        3.811  -0.631  -1.261  0.00  0.00    -0.293 NA
ATOM      9  C   LIG    1        4.853  -0.229  -0.310  0.00  0.00    +0.120 C 
ATOM     10  C   LIG    1        6.216  -0.750  -0.703  0.00  0.00    -0.030 A 
ATOM     11  C   LIG    1        6.608  -0.622  -2.044  0.00  0.00    -0.041 A 
ATOM     12  C   LIG    1        7.881  -1.031  -2.448  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        8.759  -1.581  -1.515  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        8.373  -1.713  -0.180  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        7.106  -1.293   0.229  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        5.623   0.016  -2.982  0.00  0.00    +0.054 C 
ENDBRANCH   5   8
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1        0.122  -0.007   2.001  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -1.000   0.695   2.352  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1       -2.183   0.674   1.609  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -3.301   1.405   2.041  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -3.220   2.133   3.237  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -2.044   2.132   3.989  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -0.938   1.406   3.549  0.00  0.00    +0.045 A 
BRANCH  20  24
ATOM     24  C   LIG    1       -4.591   1.377   1.249  0.00  0.00    +0.116 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -5.592   0.560   1.928  0.00  0.00    -0.309 NA
ATOM     26  H   LIG    1       -5.166  -0.329   2.192  0.00  0.00    +0.123 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -6.816   0.305   1.180  0.00  0.00    +0.054 C 
ATOM     28  C   LIG    1       -7.479   1.487   0.472  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1       -8.548   0.805  -0.375  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1       -7.928  -0.523  -0.813  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -6.687  -0.734   0.061  0.00  0.00    +0.019 C 
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9