REMARK  Name = BDB021786
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.012   0.631   1.622  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        2.160   0.685   0.409  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1        1.137   1.070  -0.438  0.00  0.00    -0.294 N 
ATOM      4  H   LIG    1        1.136   0.583  -1.323  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1        3.298   0.393  -0.307  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        3.300   0.727  -1.259  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.186   1.420   0.104  0.00  0.00    +0.105 C 
ATOM      8  C   LIG    1       -0.896   0.182   0.708  0.00  0.00    +0.149 C 
ATOM      9  C   LIG    1       -2.416   0.278   0.515  0.00  0.00    +0.118 C 
ATOM     10  N   LIG    1       -2.814   0.336  -0.906  0.00  0.00    -0.296 NA
ATOM     11  C   LIG    1       -1.886   1.105  -1.743  0.00  0.00    +0.087 C 
ATOM     12  C   LIG    1       -1.035   2.109  -0.971  0.00  0.00    +0.040 C 
BRANCH   8  13
ATOM     13  O   LIG    1       -0.602   0.074   2.105  0.00  0.00    -0.389 OA
ATOM     14  H   LIG    1        0.372   0.174   2.195  0.00  0.00    +0.210 HD
ENDBRANCH   8  13
BRANCH  10  15
ATOM     15  C   LIG    1       -4.203   0.805  -1.056  0.00  0.00    +0.119 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.228  -0.124  -0.442  0.00  0.00    -0.033 A 
ATOM     17  C   LIG    1       -6.059   0.314   0.599  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -7.008  -0.545   1.157  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -7.137  -1.848   0.679  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -6.317  -2.295  -0.355  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.368  -1.438  -0.913  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   3   7
BRANCH   5  22
ATOM     22  C   LIG    1        4.514  -0.120   0.187  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        5.593  -0.183  -0.704  0.00  0.00    +0.035 A 
ATOM     24  C   LIG    1        6.843  -0.685  -0.298  0.00  0.00    +0.057 A 
ATOM     25  C   LIG    1        6.995  -1.144   1.016  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        5.923  -1.090   1.905  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.689  -0.581   1.492  0.00  0.00    +0.023 A 
BRANCH  24  28
ATOM     28  C   LIG    1        7.987  -0.761  -1.277  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1        7.978  -1.919  -1.993  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        7.966   0.244  -2.197  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        9.211  -0.696  -0.684  0.00  0.00    -0.166 F 
ENDBRANCH  24  28
ENDBRANCH   5  22
TORSDOF 6