REMARK  Name = BDB001967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.147  -0.570  -1.308  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1        0.717   0.595  -1.570  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        1.717   0.976  -0.451  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.518  -0.176  -0.001  0.00  0.00    -0.325 N 
ATOM      5  C   LIG    1        2.017  -1.507  -0.379  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.469  -1.524  -0.368  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -5.783   1.578   1.071  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -5.488   0.510   0.051  0.00  0.00    +0.212 C 
ATOM      9  N   LIG    1       -4.183   0.041  -0.027  0.00  0.00    -0.302 N 
ATOM     10  C   LIG    1       -3.924  -1.053  -0.960  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1       -2.458  -1.481  -1.003  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -1.556  -0.238  -1.041  0.00  0.00    +0.060 C 
ATOM     13  C   LIG    1       -1.792   0.657   0.196  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -3.116   0.376   0.908  0.00  0.00    +0.109 C 
ATOM     15  O   LIG    1       -6.384   0.089  -0.683  0.00  0.00    -0.276 OA
ENDBRANCH   1  12
BRANCH   4  16
ATOM     16  C   LIG    1        3.834   0.005   0.416  0.00  0.00    +0.065 A 
ATOM     17  C   LIG    1        4.844  -0.970   0.281  0.00  0.00    +0.144 A 
ATOM     18  F   LIG    1        4.589  -2.148  -0.313  0.00  0.00    -0.204 F 
ATOM     19  C   LIG    1        6.154  -0.763   0.722  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        6.503   0.438   1.328  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        5.536   1.423   1.489  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        4.225   1.205   1.042  0.00  0.00    +0.026 A 
ENDBRANCH   4  16
TORSDOF 2