REMARK  Name = BDB021967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.878   0.420  -0.025  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1       -1.690  -0.691  -0.318  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.989  -0.387  -0.660  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1       -3.344   0.518  -0.377  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.247  -1.838  -0.265  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.991  -1.274  -1.115  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1       -5.301  -0.777  -1.189  0.00  0.00    +0.145 A 
ATOM      8  F   LIG    1       -5.552   0.491  -0.822  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1       -6.359  -1.567  -1.631  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -6.116  -2.882  -2.017  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -4.818  -3.392  -1.958  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -3.758  -2.591  -1.513  0.00  0.00    +0.026 A 
ENDBRANCH   3   6
BRANCH   1  13
ATOM     13  C   LIG    1        0.537   0.140   0.320  0.00  0.00    +0.080 C 
ATOM     14  C   LIG    1        1.144   1.111   1.354  0.00  0.00    +0.038 C 
ATOM     15  C   LIG    1        2.635   1.372   1.117  0.00  0.00    +0.086 C 
ATOM     16  N   LIG    1        3.309   0.135   0.734  0.00  0.00    -0.298 NA
ATOM     17  C   LIG    1        2.848  -0.367  -0.572  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1        1.416   0.049  -0.932  0.00  0.00    +0.038 C 
BRANCH  16  19
ATOM     19  C   LIG    1        4.772   0.283   0.784  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.523  -1.024   0.640  0.00  0.00    -0.033 A 
ATOM     21  C   LIG    1        5.292  -2.082   1.536  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        5.998  -3.281   1.418  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.950  -3.432   0.412  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        7.191  -2.389  -0.483  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.482  -1.190  -0.369  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  13
BRANCH   1  26
ATOM     26  C   LIG    1       -1.222   1.769  -0.493  0.00  0.00    +0.183 C 
BRANCH  26  30
ATOM     27  C   LIG    1       -5.261   4.236   0.447  0.00  0.00    +0.086 C 
ATOM     28  C   LIG    1       -4.031   3.529   0.859  0.00  0.00    +0.102 A 
ATOM     29  O   LIG    1       -3.255   3.031  -0.142  0.00  0.00    -0.463 OA
ATOM     30  C   LIG    1       -2.184   2.416   0.441  0.00  0.00    +0.122 A 
ATOM     31  C   LIG    1       -2.280   2.515   1.814  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -3.468   3.238   2.083  0.00  0.00    +0.045 A 
ENDBRANCH  26  30
ENDBRANCH   1  26
TORSDOF 6