REMARK  Name = BDB035351
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.633  -0.280  -0.060  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1        0.225  -0.791   0.905  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        1.496  -0.327   1.175  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        2.045  -1.008   2.320  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        3.268  -0.737   2.786  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        4.096   0.293   2.095  0.00  0.00    +0.252 A 
ATOM      7  N   LIG    1        3.511   0.918   0.992  0.00  0.00    -0.309 N 
ATOM      8  O   LIG    1        5.225   0.527   2.518  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        1.050  -1.992   2.832  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1        2.230   0.600   0.546  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1       -0.157  -1.790   1.916  0.00  0.00    +0.118 C 
ATOM     12  O   LIG    1       -0.385   0.730  -0.730  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -1.974  -1.026  -0.306  0.00  0.00    +0.165 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -3.636   0.411   0.815  0.00  0.00    +0.230 C 
ATOM     15  N   LIG    1       -2.995   0.027  -0.346  0.00  0.00    -0.302 N 
ATOM     16  H   LIG    1       -2.813   0.758  -1.025  0.00  0.00    +0.150 HD
ATOM     17  O   LIG    1       -3.563  -0.253   1.851  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1       -4.534   1.673   0.696  0.00  0.00    +0.137 C 
ATOM     19  C   LIG    1       -3.760   2.878   0.169  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     20  C   LIG    1       -6.432   2.495   1.978  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1       -5.064   2.002   2.038  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1       -5.038   1.145   2.602  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH  13  15
BRANCH  13  23
ATOM     23  C   LIG    1       -1.967  -1.889  -1.610  0.00  0.00    -0.011 C 
ATOM     24  C   LIG    1       -0.889  -2.987  -1.523  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1       -1.711  -1.061  -2.885  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1       -3.337  -2.587  -1.760  0.00  0.00    +0.013 C 
ENDBRANCH  13  23
ENDBRANCH   1  13
BRANCH   7  27
ATOM     27  C   LIG    1        4.284   1.923   0.264  0.00  0.00    +0.163 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.988   1.345  -0.939  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        4.468   1.531  -2.224  0.00  0.00    +0.131 A 
ATOM     30  F   LIG    1        3.344   2.243  -2.393  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        5.090   0.993  -3.345  0.00  0.00    +0.077 A 
ATOM     32  C   LIG    1        6.252   0.255  -3.176  0.00  0.00    +0.126 A 
ATOM     33  F   LIG    1        6.861  -0.269  -4.248  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1        6.796   0.050  -1.913  0.00  0.00    +0.039 A 
ATOM     35  C   LIG    1        6.165   0.593  -0.792  0.00  0.00    +0.011 A 
ENDBRANCH  27  28
ENDBRANCH   7  27
TORSDOF 7