REMARK  Name = BDB016942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.369  -3.786  -1.325  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        0.715  -2.848  -1.163  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        0.630  -1.580  -0.626  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        1.933  -1.096  -0.691  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        2.773  -2.046  -1.250  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        2.011  -3.079  -1.519  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.614  -1.001  -0.136  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.460  -0.306  -1.001  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -2.667   0.226  -0.532  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -3.070   0.085   0.808  0.00  0.00    -0.044 A 
ATOM     11  C   LIG    1       -2.195  -0.616   1.659  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -0.986  -1.151   1.200  0.00  0.00    +0.010 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -4.368   0.647   1.360  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1       -5.620   0.705   0.519  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -4.907   1.975   0.886  0.00  0.00    +0.009 C 
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   4  16
ATOM     16  C   LIG    1        2.423   0.212  -0.255  0.00  0.00    +0.092 A 
ATOM     17  N   LIG    1        1.529   1.082   0.278  0.00  0.00    -0.253 NA
ATOM     18  C   LIG    1        1.978   2.288   0.680  0.00  0.00    +0.112 A 
ATOM     19  C   LIG    1        3.296   2.686   0.580  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1        4.205   1.784   0.031  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        3.768   0.529  -0.393  0.00  0.00    +0.045 A 
BRANCH  20  22
ATOM     22  C   LIG    1        5.640   2.116  -0.119  0.00  0.00    +0.337 C 
ATOM     23  O   LIG    1        6.499   1.392  -0.585  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        5.936   3.351   0.325  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1        6.900   3.428   0.164  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   4  16
TORSDOF 5