@MOLECULE tifatol 29 30 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.6402 1.5145 -0.5501 S.2 1 UNL1111111111 0.1053 2 N 2.7929 -0.6513 0.3417 N.ar 1 UNL1111111111 -0.3753 3 N 0.4636 -0.8278 0.5340 N.2 1 UNL1111111111 -0.4931 4 C -1.6033 -0.8064 -0.7625 C.ar 1 UNL1111111111 0.0208 5 C -0.8667 -0.3993 0.3673 C.ar 1 UNL1111111111 0.1279 6 C -3.5685 0.2634 0.1756 C.ar 1 UNL1111111111 0.0334 7 C -2.9518 -0.4665 -0.8430 C.ar 1 UNL1111111111 -0.1980 8 C -1.4829 0.3320 1.3903 C.ar 1 UNL1111111111 -0.1669 9 C 1.4921 -0.1443 0.1921 C.ar 1 UNL1111111111 0.3155 10 C -2.8304 0.6609 1.2914 C.ar 1 UNL1111111111 -0.1771 11 C -0.9505 -1.5803 -1.8545 C.3 1 UNL1111111111 -0.4453 12 C -5.0101 0.6295 0.0607 C.3 1 UNL1111111111 -0.4533 13 C 3.8101 0.2354 -0.0169 C.ar 1 UNL1111111111 0.0580 14 C 3.0667 -1.9008 1.0431 C.3 1 UNL1111111111 -0.2241 15 C 3.3922 1.4174 -0.5278 C.ar 1 UNL1111111111 -0.3911 16 H -3.5310 -0.7731 -1.7113 H 1 UNL1111111111 0.1538 17 H -0.9044 0.6334 2.2614 H 1 UNL1111111111 0.1618 18 H -3.3061 1.2293 2.0869 H 1 UNL1111111111 0.1522 19 H -0.3716 -2.4270 -1.4502 H 1 UNL1111111111 0.1688 20 H -1.6698 -1.9912 -2.5736 H 1 UNL1111111111 0.1523 21 H -0.2432 -0.9529 -2.4182 H 1 UNL1111111111 0.1615 22 H 4.8388 -0.0878 0.1168 H 1 UNL1111111111 0.1727 23 H -5.5892 -0.1278 -0.4847 H 1 UNL1111111111 0.1543 24 H -5.4890 0.7527 1.0414 H 1 UNL1111111111 0.1545 25 H -5.1275 1.5808 -0.4805 H 1 UNL1111111111 0.1593 26 H 3.9053 -2.4353 0.5672 H 1 UNL1111111111 0.1467 27 H 2.1736 -2.5618 1.0064 H 1 UNL1111111111 0.1865 28 H 3.3014 -1.7200 2.1073 H 1 UNL1111111111 0.1473 29 H 3.9995 2.2252 -0.8879 H 1 UNL1111111111 0.1916 @BOND 1 1 9 ar 2 1 15 ar 3 2 9 ar 4 2 13 ar 5 2 14 1 6 3 5 1 7 3 9 2 8 4 5 ar 9 4 7 ar 10 4 11 1 11 5 8 ar 12 6 7 ar 13 6 10 ar 14 6 12 1 15 7 16 1 16 8 10 ar 17 8 17 1 18 10 18 1 19 11 19 1 20 11 20 1 21 11 21 1 22 12 23 1 23 12 24 1 24 12 25 1 25 13 15 ar 26 13 22 1 27 14 26 1 28 14 27 1 29 14 28 1 30 15 29 1