REMARK  Name = BDB034493
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.425   2.759  -0.083  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.946   1.592  -0.789  0.00  0.00    -0.290 N 
ATOM      3  C   LIG    1       -0.230   0.409  -0.974  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1       -0.736  -0.661  -1.296  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.233   0.406  -0.793  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1        1.833  -0.572  -0.001  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1        3.220  -0.552   0.104  0.00  0.00    +0.093 A 
ATOM      8  C   LIG    1        3.972   0.412  -0.574  0.00  0.00    +0.179 A 
ATOM      9  N   LIG    1        5.374   0.499  -0.499  0.00  0.00    -0.209 NA
ATOM     10  C   LIG    1        6.035  -0.364   0.220  0.00  0.00    +0.144 A 
ATOM     11  C   LIG    1        5.321  -1.382   0.935  0.00  0.00    +0.106 A 
ATOM     12  C   LIG    1        5.698  -2.421   1.754  0.00  0.00    +0.142 A 
ATOM     13  N   LIG    1        4.597  -3.112   2.199  0.00  0.00    -0.243 NA
ATOM     14  C   LIG    1        3.564  -2.516   1.641  0.00  0.00    +0.204 A 
ATOM     15  N   LIG    1        3.394   1.347  -1.358  0.00  0.00    -0.234 NA
ATOM     16  N   LIG    1        3.954  -1.460   0.866  0.00  0.00    -0.293 N 
ATOM     17  C   LIG    1        2.044   1.310  -1.470  0.00  0.00    +0.126 A 
BRANCH  10  18
ATOM     18  N   LIG    1        7.394  -0.236   0.264  0.00  0.00    -0.341 N 
ATOM     19  H   LIG    1        7.699   0.661  -0.099  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1        7.840  -0.488   1.137  0.00  0.00    +0.144 HD
ENDBRANCH  10  18
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1       -2.374   1.642  -1.123  0.00  0.00    +0.147 C 
ATOM     22  C   LIG    1       -3.268   0.776  -0.306  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1       -4.245   0.243  -1.135  0.00  0.00    +0.126 A 
ATOM     24  C   LIG    1       -5.263  -0.554  -0.650  0.00  0.00    +0.058 A 
ATOM     25  C   LIG    1       -5.294  -0.833   0.726  0.00  0.00    +0.058 A 
ATOM     26  C   LIG    1       -4.291  -0.296   1.567  0.00  0.00    +0.013 A 
ATOM     27  O   LIG    1       -4.119   0.597  -2.454  0.00  0.00    -0.489 OA
ATOM     28  C   LIG    1       -3.278   0.521   1.054  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1       -2.786   1.166  -2.531  0.00  0.00    +0.256 C 
BRANCH  25  30
ATOM     30  C   LIG    1       -6.365  -1.728   1.297  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1       -5.982  -3.033   1.347  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -7.525  -1.704   0.582  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -6.712  -1.392   2.572  0.00  0.00    -0.166 F 
ENDBRANCH  25  30
ENDBRANCH   2  21
TORSDOF 4