REMARK  Name = BDB034320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.886  -0.758  -0.421  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        2.244  -0.219  -0.516  0.00  0.00    -0.343 N 
ATOM      3  H   LIG    1        2.254   0.795  -0.425  0.00  0.00    +0.146 HD
BRANCH   2   4
ATOM      4  C   LIG    1        3.284  -0.783   0.254  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1        4.572  -0.170   0.266  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1        5.589  -0.779   1.038  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1        6.848  -0.195   1.087  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        7.159   0.982   0.389  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1        6.170   1.571  -0.398  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        5.405  -1.912   1.727  0.00  0.00    -0.255 NA
ATOM     11  C   LIG    1        4.197  -2.500   1.653  0.00  0.00    +0.113 A 
ATOM     12  C   LIG    1        4.896   1.004  -0.458  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        3.131  -1.992   0.936  0.00  0.00    +0.043 A 
BRANCH   8  14
ATOM     14  C   LIG    1        8.549   1.560   0.456  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1        9.395   0.981  -0.440  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        9.133   1.409   1.677  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        8.584   2.897   0.192  0.00  0.00    -0.166 F 
ENDBRANCH   8  14
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -0.040   0.044  -1.339  0.00  0.00    +0.034 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.456  -0.546  -1.396  0.00  0.00    +0.086 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.125  -0.629  -0.092  0.00  0.00    -0.298 NA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.307  -1.507  -0.110  0.00  0.00    +0.084 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -2.039  -3.551   0.751  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -2.995  -3.001  -0.299  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  24
ATOM     24  C   LIG    1       -2.438   0.682   0.526  0.00  0.00    +0.123 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.439   1.579  -0.186  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -4.809   1.583   0.149  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -5.689   2.429  -0.540  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -5.221   3.276  -1.546  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -3.870   3.293  -1.869  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -2.986   2.455  -1.191  0.00  0.00    +0.008 A 
BRANCH  26  31
ATOM     31  O   LIG    1       -5.188   0.745   1.165  0.00  0.00    -0.495 OA
ATOM     32  C   LIG    1       -6.565   0.711   1.518  0.00  0.00    +0.277 C 
ENDBRANCH  26  31
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11