REMARK  Name = BDB049079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.667  -2.890   0.050  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        2.165  -1.473   0.084  0.00  0.00    -0.038 A 
ATOM      3  C   LIG    1        2.837  -0.460   0.785  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        2.325   0.844   0.802  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        1.145   1.149   0.119  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.445   0.159  -0.578  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.974  -1.148  -0.588  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1       -0.841   0.435  -1.339  0.00  0.00    +0.051 C 
ATOM      9  C   LIG    1       -1.454   1.860  -1.302  0.00  0.00    +0.079 C 
ATOM     10  C   LIG    1       -2.908   1.564  -1.718  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1       -3.233   0.386  -0.911  0.00  0.00    -0.296 NA
ATOM     12  C   LIG    1       -2.023  -0.453  -0.874  0.00  0.00    +0.094 C 
BRANCH   9  13
ATOM     13  N   LIG    1       -0.725   2.914  -2.045  0.00  0.00    -0.304 NA
ATOM     14  C   LIG    1       -1.306   4.234  -1.794  0.00  0.00    +0.104 C 
ATOM     15  C   LIG    1       -0.608   2.684  -3.483  0.00  0.00    +0.104 C 
ENDBRANCH   9  13
BRANCH  11  16
ATOM     16  C   LIG    1       -4.429  -0.314  -1.385  0.00  0.00    +0.122 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.883  -1.419  -0.454  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -4.813  -2.748  -0.897  0.00  0.00    +0.128 A 
ATOM     19  F   LIG    1       -4.347  -3.020  -2.126  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -5.210  -3.812  -0.094  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -5.689  -3.563   1.187  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -5.769  -2.251   1.654  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.379  -1.168   0.846  0.00  0.00    -0.043 A 
ATOM     24  C   LIG    1       -5.465   0.225   1.408  0.00  0.00    +0.044 C 
ENDBRANCH  16  17
ENDBRANCH  11  16
ENDBRANCH   6   8
BRANCH   3  25
ATOM     25  C   LIG    1        4.097  -0.739   1.527  0.00  0.00    +0.249 C 
ATOM     26  N   LIG    1        5.137   0.111   1.194  0.00  0.00    -0.281 N 
ATOM     27  H   LIG    1        4.959   0.773   0.449  0.00  0.00    +0.155 HD
ATOM     28  O   LIG    1        4.124  -1.665   2.326  0.00  0.00    -0.270 OA
BRANCH  26  29
ATOM     29  C   LIG    1        6.440   0.117   1.736  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        6.862  -0.730   2.755  0.00  0.00    +0.043 A 
ATOM     31  C   LIG    1        8.169  -0.623   3.205  0.00  0.00    +0.112 A 
ATOM     32  N   LIG    1        9.066   0.259   2.715  0.00  0.00    -0.263 NA
ATOM     33  C   LIG    1        8.634   1.070   1.730  0.00  0.00    +0.112 A 
ATOM     34  C   LIG    1        7.349   1.038   1.213  0.00  0.00    +0.043 A 
ENDBRANCH  26  29
ENDBRANCH   3  25
TORSDOF 6