REMARK  Name = BDB035922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.228  -3.421   0.297  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1        4.776   1.830   1.704  0.00  0.00    +0.046 C 
ATOM      3  C   LIG    1        4.415   1.376   0.308  0.00  0.00    -0.010 C 
ATOM      4  C   LIG    1        3.591   0.148   0.247  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1        3.187  -0.389  -0.968  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        2.417  -1.561  -0.961  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        2.057  -2.163   0.246  0.00  0.00    -0.015 A 
ATOM      8  C   LIG    1        2.524  -1.557   1.403  0.00  0.00    +0.116 A 
ATOM      9  C   LIG    1        3.576   0.242  -2.265  0.00  0.00    +0.116 C 
ATOM     10  C   LIG    1        4.285   1.567  -2.144  0.00  0.00    +0.172 C 
ATOM     11  O   LIG    1        4.454   2.254  -3.151  0.00  0.00    -0.292 OA
ATOM     12  N   LIG    1        3.274  -0.432   1.425  0.00  0.00    -0.255 NA
ATOM     13  C   LIG    1        4.782   2.030  -0.818  0.00  0.00    +0.102 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.669   3.227  -0.947  0.00  0.00    +0.421 C 
ATOM     15  F   LIG    1        6.630   3.065  -1.895  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        6.355   3.515   0.192  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        4.972   4.349  -1.257  0.00  0.00    -0.166 F 
ENDBRANCH  13  14
ENDBRANCH   1   7
BRANCH   1  18
ATOM     18  N   LIG    1       -0.224  -3.256   0.353  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -0.746  -2.785   1.647  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1       -2.179  -2.212   1.557  0.00  0.00    +0.122 C 
ATOM     21  N   LIG    1       -2.185  -1.040   0.665  0.00  0.00    -0.313 N 
ATOM     22  C   LIG    1       -1.339  -1.135  -0.537  0.00  0.00    +0.122 C 
ATOM     23  C   LIG    1       -0.847  -2.581  -0.793  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.383  -0.336   0.592  0.00  0.00    +0.122 A 
ATOM     25  N   LIG    1       -4.475  -0.840   1.237  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1       -5.647  -0.159   1.195  0.00  0.00    +0.126 A 
ATOM     27  C   LIG    1       -5.748   1.027   0.527  0.00  0.00    +0.060 A 
ATOM     28  C   LIG    1       -6.879   1.930   0.352  0.00  0.00    +0.246 C 
ATOM     29  N   LIG    1       -6.416   2.988  -0.400  0.00  0.00    -0.307 N 
ATOM     30  H   LIG    1       -7.019   3.762  -0.646  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1       -5.017   2.867  -0.745  0.00  0.00    +0.140 C 
ATOM     32  O   LIG    1       -7.999   1.769   0.789  0.00  0.00    -0.270 OA
ATOM     33  C   LIG    1       -4.649   1.566  -0.119  0.00  0.00    -0.014 A 
ATOM     34  C   LIG    1       -3.444   0.888  -0.091  0.00  0.00    +0.049 A 
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 4