REMARK  Name = BDB012934
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.198  -0.404  -2.642  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -1.182   0.534  -2.381  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.373   1.325  -1.174  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1       -2.858   1.706  -1.183  0.00  0.00    +0.015 C 
ATOM      5  C   LIG    1       -3.162   1.775  -2.683  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1       -2.328   0.644  -3.267  0.00  0.00    +0.108 C 
ATOM      7  O   LIG    1       -0.314  -1.174  -3.598  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        2.702  -0.361  -0.394  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        2.791  -1.572  -0.956  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        1.751  -1.610  -1.804  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        1.615  -2.434  -2.380  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        0.960  -0.490  -1.785  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        1.584   0.355  -0.889  0.00  0.00    +0.057 A 
BRANCH   8  14
ATOM     14  C   LIG    1        3.709   0.102   0.626  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1        5.119   0.147   0.028  0.00  0.00    +0.014 C 
BRANCH  14  17
ATOM     16  C   LIG    1        4.473  -0.216   3.052  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        3.638  -0.761   1.902  0.00  0.00    +0.006 C 
ENDBRANCH  14  17
ENDBRANCH   8  14
ENDBRANCH   1  12
BRANCH   4  18
ATOM     18  C   LIG    1       -3.731   0.660  -0.472  0.00  0.00    +0.079 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.436   0.606   1.012  0.00  0.00    +0.140 C 
ATOM     20  O   LIG    1       -3.106   1.584   1.673  0.00  0.00    -0.297 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -3.640  -0.703   1.677  0.00  0.00    +0.092 C 
ATOM     22  C   LIG    1       -2.820  -1.894   1.280  0.00  0.00    +0.177 C 
ATOM     23  F   LIG    1       -1.867  -1.724   0.293  0.00  0.00    -0.245 F 
ATOM     24  C   LIG    1       -2.562  -1.241   2.596  0.00  0.00    +0.051 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 6