REMARK  Name = BDB035341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.483  -0.882  -0.588  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1        0.213  -1.696   0.297  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        1.573  -1.649   0.530  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        1.934  -2.566   1.581  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        3.198  -2.708   1.991  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        4.271  -1.903   1.338  0.00  0.00    +0.252 A 
ATOM      7  N   LIG    1        3.856  -1.012   0.344  0.00  0.00    -0.309 N 
ATOM      8  O   LIG    1        5.433  -2.078   1.691  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        0.711  -3.264   2.067  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1        2.525  -0.912  -0.055  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1       -0.415  -2.607   1.269  0.00  0.00    +0.118 C 
ATOM     12  O   LIG    1        0.043   0.029  -1.240  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -2.006  -1.140  -0.765  0.00  0.00    +0.165 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -3.044   0.668   0.555  0.00  0.00    +0.230 C 
ATOM     15  N   LIG    1       -2.630   0.186  -0.671  0.00  0.00    -0.302 N 
ATOM     16  H   LIG    1       -2.263   0.867  -1.325  0.00  0.00    +0.150 HD
ATOM     17  O   LIG    1       -3.133  -0.060   1.545  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1       -3.485   2.158   0.572  0.00  0.00    +0.137 C 
ATOM     19  C   LIG    1       -2.392   3.084   0.045  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     20  C   LIG    1       -4.929   3.450   2.044  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1       -3.796   2.540   1.967  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1       -4.016   1.681   2.485  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH  13  15
BRANCH  13  23
ATOM     23  C   LIG    1       -2.358  -1.861  -2.106  0.00  0.00    -0.011 C 
ATOM     24  C   LIG    1       -1.689  -3.249  -2.162  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1       -1.929  -1.067  -3.355  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1       -3.887  -2.075  -2.177  0.00  0.00    +0.013 C 
ENDBRANCH  13  23
ENDBRANCH   1  13
BRANCH   7  27
ATOM     27  C   LIG    1        4.862  -0.170  -0.303  0.00  0.00    +0.163 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.703   1.297   0.018  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        5.128   1.803   1.252  0.00  0.00    +0.131 A 
ATOM     30  F   LIG    1        5.699   0.989   2.149  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        4.978   3.147   1.577  0.00  0.00    +0.077 A 
ATOM     32  C   LIG    1        4.391   3.999   0.654  0.00  0.00    +0.126 A 
ATOM     33  F   LIG    1        4.241   5.296   0.954  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1        3.956   3.530  -0.581  0.00  0.00    +0.039 A 
ATOM     35  C   LIG    1        4.111   2.179  -0.901  0.00  0.00    +0.011 A 
ENDBRANCH  27  28
ENDBRANCH   7  27
TORSDOF 7