REMARK  Name = BDB063167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.490   0.893  -2.363  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.059   0.425  -1.053  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1       -3.035   0.071  -0.075  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -2.603  -0.378   1.182  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1       -3.536  -0.734   2.166  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -4.902  -0.645   1.905  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -5.340  -0.202   0.661  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.176  -0.474   1.466  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -0.254  -0.141   0.547  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -4.413   0.155  -0.323  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -0.691   0.339  -0.798  0.00  0.00    +0.264 A 
ATOM     12  O   LIG    1        0.163   0.642  -1.634  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        1.189  -0.282   0.955  0.00  0.00    +0.255 C 
ATOM     14  N   LIG    1        2.103   0.065  -0.005  0.00  0.00    -0.266 N 
ATOM     15  H   LIG    1        1.763   0.389  -0.911  0.00  0.00    +0.157 HD
ATOM     16  O   LIG    1        1.473  -0.685   2.082  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.496   0.045   0.065  0.00  0.00    +0.125 A 
ATOM     18  N   LIG    1        4.099   0.456  -1.074  0.00  0.00    -0.237 NA
ATOM     19  C   LIG    1        5.454   0.469  -1.096  0.00  0.00    +0.151 A 
ATOM     20  C   LIG    1        6.238   0.088  -0.025  0.00  0.00    +0.142 A 
ATOM     21  F   LIG    1        7.573   0.122  -0.106  0.00  0.00    -0.204 F 
ATOM     22  C   LIG    1        5.615  -0.330   1.136  0.00  0.00    +0.043 A 
ATOM     23  C   LIG    1        4.219  -0.353   1.185  0.00  0.00    +0.046 A 
ENDBRANCH  14  17
ENDBRANCH   9  13
TORSDOF 2