@MOLECULE almitrine 35 38 0 0 0 SMALL GASTEIGER @ATOM 1 F -7.3170 -3.8760 -0.3326 F 1 UNL11 -0.0919 2 F -2.7094 5.6232 0.5988 F 1 UNL11 -0.1007 3 N -1.7896 -0.2336 -0.0617 N.3 1 UNL11 -0.0385 4 N 1.0899 -0.2177 -0.1032 N.pl3 1 UNL11 -0.2697 5 N 3.0202 -1.5806 -0.0608 N.ar 1 UNL11 -0.5435 6 N 3.2300 0.8155 -0.2093 N.ar 1 UNL11 -0.5203 7 N 5.2172 -0.5664 -0.1501 N.ar 1 UNL11 -0.4781 8 N 4.9677 -2.8752 -0.1040 N.pl3 1 UNL11 -0.4469 9 N 5.3784 1.7515 -0.2692 N.pl3 1 UNL11 -0.4440 10 C -1.0118 -1.3251 -0.1865 C.3 1 UNL11 0.0029 11 C -0.9973 0.9826 0.0573 C.3 1 UNL11 -0.2153 12 C -3.1404 0.0177 -0.0118 C.3 1 UNL11 0.1111 13 C 0.2811 -1.3207 -0.2044 C.3 1 UNL11 0.1197 14 C 0.4188 1.0062 0.0398 C.3 1 UNL11 0.2783 15 C -4.1650 -0.9650 -0.0987 C.ar 1 UNL11 -0.0053 16 C -3.2798 1.4291 0.1434 C.ar 1 UNL11 -0.0717 17 C 2.4892 -0.3214 -0.1260 C.ar 1 UNL11 0.5862 18 C -5.5468 -0.7360 -0.0782 C.ar 1 UNL11 0.0276 19 C -1.9343 2.0368 0.1878 C.ar 1 UNL11 0.0114 20 C -4.0430 -2.3544 -0.2144 C.ar 1 UNL11 0.0037 21 C -4.2526 2.3916 0.2672 C.ar 1 UNL11 0.0143 22 C -6.5107 -1.6105 -0.1520 C.ar 1 UNL11 -0.0700 23 C -1.8734 3.4061 0.3384 C.ar 1 UNL11 -0.0034 24 C -4.9908 -3.2455 -0.2864 C.ar 1 UNL11 -0.0626 25 C -4.0932 3.6628 0.4056 C.ar 1 UNL11 -0.0862 26 C -6.3595 -2.9903 -0.2623 C.ar 1 UNL11 0.2084 27 C -2.8745 4.3312 0.4581 C.ar 1 UNL11 0.1693 28 C 4.3838 -1.6488 -0.0917 C.ar 1 UNL11 0.6448 29 C 4.5902 0.6406 -0.2088 C.ar 1 UNL11 0.6305 30 C 5.2491 -3.9619 0.3306 C.3 1 UNL11 0.6534 31 C 5.4171 2.9642 -0.3413 C.3 1 UNL11 0.6584 32 C 5.6682 -5.1362 0.6591 C.2 1 UNL11 -0.8079 33 C 5.7145 4.2133 -0.4168 C.2 1 UNL11 -0.8103 34 C 6.0893 -6.2997 0.9830 C.2 1 UNL11 0.4645 35 C 6.0095 5.4592 -0.4946 C.2 1 UNL11 0.4821 @BOND 1 1 26 1 2 2 27 1 3 3 10 1 4 3 11 1 5 3 12 1 6 4 13 1 7 4 14 1 8 4 17 1 9 5 17 ar 10 5 28 ar 11 6 17 ar 12 6 29 ar 13 7 28 ar 14 7 29 ar 15 8 28 1 16 8 30 1 17 9 29 1 18 9 31 1 19 10 13 1 20 11 14 1 21 12 15 1 22 12 16 1 23 15 18 ar 24 15 20 ar 25 16 19 ar 26 16 21 ar 27 18 22 ar 28 19 23 ar 29 20 24 ar 30 21 25 ar 31 22 26 ar 32 23 27 ar 33 24 26 ar 34 25 27 ar 35 30 32 1 36 31 33 1 37 32 34 2 38 33 35 2