REMARK  Name = BDB057078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.045   1.044   1.065  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1        1.006   0.040   0.949  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.255   0.375   1.427  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.255   0.983   2.230  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.746  -1.061   0.475  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -2.842  -1.622  -0.310  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1       -1.879  -0.957  -1.194  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -1.582   0.495  -0.822  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -1.365   0.761   0.680  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -2.061  -0.231   1.630  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -2.300  -1.625   1.054  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -4.211  -1.095  -0.373  0.00  0.00    +0.084 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -6.350  -0.938  -1.700  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -4.889  -1.367  -1.722  0.00  0.00    +0.012 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        3.457  -0.329   1.203  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        3.621  -1.262   0.176  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        4.853  -1.913  -0.017  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1        5.922  -1.618   0.840  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        5.769  -0.677   1.857  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        4.544  -0.032   2.033  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        5.002  -2.937  -1.116  0.00  0.00    +0.417 C 
ATOM     22  F   LIG    1        6.300  -3.128  -1.491  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        4.537  -4.163  -0.754  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        4.338  -2.599  -2.256  0.00  0.00    -0.166 F 
ENDBRANCH  17  21
ENDBRANCH   3  15
BRANCH   1  25
ATOM     25  C   LIG    1        0.392   2.465   1.223  0.00  0.00    +0.183 C 
BRANCH  25  26
ATOM     26  C   LIG    1        0.585   3.102  -0.106  0.00  0.00    +0.122 A 
ATOM     27  O   LIG    1       -0.384   3.974  -0.510  0.00  0.00    -0.466 OA
ATOM     28  C   LIG    1       -0.021   4.429  -1.737  0.00  0.00    +0.195 A 
ATOM     29  C   LIG    1        1.171   3.865  -2.127  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        1.566   3.008  -1.073  0.00  0.00    +0.046 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7