REMARK  Name = BDB021838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.473   0.818  -0.173  0.00  0.00    -0.293 N 
ATOM      2  H   LIG    1        0.738   1.341  -0.998  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1        1.553   0.121   0.345  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1        2.336  -0.366  -0.681  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1        1.893  -0.364  -1.588  0.00  0.00    +0.156 HD
ATOM      6  O   LIG    1        1.743  -0.026   1.543  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -3.466   0.802   0.855  0.00  0.00    -0.302 NA
ATOM      8  C   LIG    1       -2.594   0.787   2.030  0.00  0.00    +0.086 C 
ATOM      9  C   LIG    1       -1.134   0.490   1.694  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -0.530   1.509   0.683  0.00  0.00    +0.048 C 
ATOM     11  C   LIG    1       -1.659   2.054  -0.237  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -2.781   1.033  -0.416  0.00  0.00    +0.086 C 
BRANCH   7  13
ATOM     13  C   LIG    1       -4.449  -0.286   0.808  0.00  0.00    +0.084 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.872  -1.708   0.717  0.00  0.00    +0.015 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -5.822  -2.919   1.837  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -4.954  -2.786   0.595  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   7  13
BRANCH  10  17
ATOM     17  C   LIG    1        0.124   2.681   1.459  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.528   3.857   0.601  0.00  0.00    +0.309 C 
ATOM     19  O   LIG    1        0.146   5.003   0.796  0.00  0.00    -0.251 OA
BRANCH  18  20
ATOM     20  O   LIG    1        1.384   3.484  -0.391  0.00  0.00    -0.468 OA
ATOM     21  C   LIG    1        1.848   4.570  -1.196  0.00  0.00    +0.280 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   1  10
BRANCH   4  22
ATOM     22  C   LIG    1        3.566  -1.043  -0.576  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        4.099  -1.593  -1.749  0.00  0.00    +0.035 A 
ATOM     24  C   LIG    1        5.325  -2.282  -1.738  0.00  0.00    +0.057 A 
ATOM     25  C   LIG    1        6.026  -2.398  -0.531  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        5.505  -1.847   0.638  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.282  -1.172   0.615  0.00  0.00    +0.023 A 
BRANCH  24  28
ATOM     28  C   LIG    1        5.890  -2.851  -3.014  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1        6.627  -1.938  -3.705  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        4.925  -3.279  -3.877  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        6.709  -3.920  -2.813  0.00  0.00    -0.166 F 
ENDBRANCH  24  28
ENDBRANCH   4  22
TORSDOF 9