REMARK  Name = BDB026835
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.147  -1.126  -0.099  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.088  -0.216  -1.319  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.390  -0.701  -2.604  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.325   0.139  -3.716  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.957   1.473  -3.563  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.650   1.968  -2.298  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.714   1.130  -1.183  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -2.769  -2.893  -0.426  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -2.562  -1.758   0.026  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -3.683  -0.988   0.597  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -3.747   0.216   1.390  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -5.103   0.493   1.611  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -5.557   1.601   2.339  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.606   2.465   2.878  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.251   2.221   2.700  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -5.832  -0.498   1.003  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -6.842  -0.555   1.008  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -2.813   1.108   1.968  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -4.997  -1.394   0.408  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1       -0.139  -2.221  -0.130  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1       -0.428  -2.885  -0.852  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.249  -1.809  -0.349  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.833  -0.956   0.786  0.00  0.00    +0.050 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.279  -0.600   0.530  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1        4.308  -1.323   1.144  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.645  -1.002   0.893  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        5.976   0.043   0.018  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1        4.941   0.768  -0.591  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        3.606   0.447  -0.341  0.00  0.00    +0.004 A 
BRANCH  27  30
ATOM     30  C   LIG    1        7.417   0.407  -0.239  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        7.642   0.823  -1.517  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        7.846   1.421   0.563  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        8.280  -0.625  -0.029  0.00  0.00    -0.166 F 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 8