REMARK  Name = BDB006894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.437  -1.052  -1.497  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.378  -1.944  -1.624  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        0.991  -1.849  -1.311  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.603  -3.083  -1.516  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        2.948  -3.218  -1.255  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        3.706  -2.194  -0.813  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        3.103  -0.990  -0.619  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        0.633  -4.128  -1.995  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        0.395  -5.188  -0.913  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.087  -4.787  -3.300  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        1.748  -0.774  -0.886  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -0.632  -3.267  -2.216  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -2.531  -1.335  -2.000  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -1.198   0.254  -0.716  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -2.232   1.881   0.843  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -2.450   0.894  -0.249  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -3.163   1.570  -1.361  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -2.774   3.058  -1.647  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -3.904   4.022  -1.265  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -1.504   3.477  -1.033  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -1.357   4.476  -1.163  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -1.426   3.135   0.394  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -1.627   1.324   2.158  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -1.844  -0.342   3.814  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -2.438   0.270   2.679  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  C   LIG    1        3.996   0.143  -0.152  0.00  0.00    +0.093 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.424   1.006   0.948  0.00  0.00    -0.006 A 
ATOM     28  C   LIG    1        3.305   0.513   2.251  0.00  0.00    +0.127 A 
ATOM     29  F   LIG    1        3.712  -0.731   2.537  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        2.771   1.292   3.274  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1        2.346   2.591   3.004  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        2.459   3.103   1.711  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        2.993   2.316   0.686  0.00  0.00    +0.007 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6