REMARK  Name = BDB057061
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.585  -0.201  -0.050  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.560  -1.090  -0.537  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.829  -0.858  -0.047  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.992   0.076   0.298  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.281  -1.974  -1.343  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.548  -0.571  -0.988  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1       -2.950   0.724  -1.321  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -1.579   0.954  -0.670  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.789  -0.357  -0.583  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -1.578  -1.436   0.184  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -3.076  -1.128   0.272  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -5.002  -0.614  -1.172  0.00  0.00    +0.084 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -5.833   0.121  -0.107  0.00  0.00    +0.015 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -7.836   0.694  -1.586  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -7.343  -0.011  -0.332  0.00  0.00    -0.002 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1        3.979  -1.651  -0.229  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        5.205  -1.098   0.166  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        6.405  -1.819   0.030  0.00  0.00    +0.057 A 
ATOM     19  C   LIG    1        6.359  -3.119  -0.490  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        5.142  -3.678  -0.876  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.958  -2.947  -0.743  0.00  0.00    +0.023 A 
BRANCH  18  22
ATOM     22  C   LIG    1        7.713  -1.218   0.477  0.00  0.00    +0.417 C 
ATOM     23  F   LIG    1        7.739   0.141   0.375  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        7.992  -1.498   1.780  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        8.782  -1.664  -0.240  0.00  0.00    -0.166 F 
ENDBRANCH  18  22
ENDBRANCH   3  16
BRANCH   1  26
ATOM     26  C   LIG    1        0.754   0.498   1.231  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1        1.480   1.825   1.149  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        1.942   2.412   2.339  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        2.620   3.632   2.319  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        2.842   4.285   1.110  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        2.384   3.722  -0.078  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        1.704   2.502  -0.059  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8