REMARK  Name = BDB021769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.540   1.084  -0.007  0.00  0.00    +0.083 C 
ENDROOT
BRANCH   1   5
ATOM      2  N   LIG    1       -2.834   0.632   0.625  0.00  0.00    -0.302 NA
ATOM      3  C   LIG    1       -2.188   1.492  -0.371  0.00  0.00    +0.084 C 
ATOM      4  C   LIG    1       -0.882   0.933  -0.939  0.00  0.00    +0.019 C 
ATOM      5  C   LIG    1        0.111   0.484   0.153  0.00  0.00    +0.004 C 
ATOM      6  C   LIG    1       -0.496   0.646   1.557  0.00  0.00    +0.019 C 
ATOM      7  C   LIG    1       -1.897   0.025   1.582  0.00  0.00    +0.084 C 
BRANCH   2   8
ATOM      8  C   LIG    1       -3.745  -0.348   0.015  0.00  0.00    +0.084 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.674  -1.008   1.046  0.00  0.00    +0.015 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -6.645  -1.447  -0.521  0.00  0.00    +0.004 C 
ATOM     11  C   LIG    1       -5.619  -2.044   0.429  0.00  0.00    -0.002 C 
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  12
ATOM     12  C   LIG    1        2.554   0.148   0.674  0.00  0.00    +0.221 C 
ATOM     13  N   LIG    1        2.780  -1.010  -0.058  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1        2.288  -1.090  -0.939  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1        3.059   0.425   1.756  0.00  0.00    -0.275 OA
BRANCH  13  16
ATOM     16  C   LIG    1        3.622  -2.090   0.277  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        3.685  -3.155  -0.632  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        4.500  -4.275  -0.388  0.00  0.00    +0.057 A 
ATOM     19  C   LIG    1        5.247  -4.324   0.796  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        5.190  -3.269   1.704  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        4.382  -2.158   1.445  0.00  0.00    +0.023 A 
BRANCH  18  22
ATOM     22  C   LIG    1        4.535  -5.420  -1.368  0.00  0.00    +0.417 C 
ATOM     23  F   LIG    1        5.702  -6.121  -1.339  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        3.546  -6.326  -1.140  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        4.378  -5.014  -2.660  0.00  0.00    -0.166 F 
ENDBRANCH  18  22
ENDBRANCH  13  16
ENDBRANCH   1  12
BRANCH   1  26
ATOM     26  C   LIG    1        1.758   2.516   0.530  0.00  0.00    +0.048 C 
BRANCH  26  27
ATOM     27  C   LIG    1        1.103   3.614  -0.272  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1        0.086   4.396   0.291  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -0.519   5.414  -0.448  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -0.106   5.668  -1.754  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        0.917   4.910  -2.319  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        1.522   3.892  -1.581  0.00  0.00    +0.003 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9