REMARK  Name = BDB063170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.884  -2.281  -0.412  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.301  -0.958  -0.238  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1       -3.155   0.181  -0.143  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -2.579   1.448   0.024  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1       -3.390   2.588   0.121  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -4.777   2.472   0.052  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -5.357   1.219  -0.114  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.129   1.582   0.098  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -0.321   0.512   0.009  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -4.553   0.080  -0.211  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -0.913  -0.848  -0.170  0.00  0.00    +0.264 A 
ATOM     12  O   LIG    1       -0.162  -1.824  -0.251  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        1.161   0.772   0.098  0.00  0.00    +0.254 C 
ATOM     14  N   LIG    1        1.951  -0.353   0.002  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1        1.457  -1.239  -0.119  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        1.575   1.920   0.245  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.357  -0.440   0.049  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        4.207   0.659   0.208  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1        5.594   0.480   0.243  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        6.128  -0.796   0.120  0.00  0.00    +0.124 A 
ATOM     21  F   LIG    1        7.456  -0.964   0.154  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        5.301  -1.899  -0.039  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1        3.916  -1.721  -0.074  0.00  0.00    +0.026 A 
ENDBRANCH  14  17
ENDBRANCH   9  13
TORSDOF 2