@MOLECULE rotenone 51 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9609 0.9971 1.4127 O.3 1 UNL1111111111 -0.3117 2 O 1.3726 2.5531 1.2364 O.3 1 UNL1111111111 -0.2947 3 O -3.8771 -0.8515 -1.6480 O.3 1 UNL1111111111 -0.3168 4 O 0.8641 -2.5681 2.1946 O.2 1 UNL1111111111 -0.4671 5 O 4.4690 -1.2275 -1.2690 O.3 1 UNL1111111111 -0.3208 6 O 4.4515 1.5201 -2.0051 O.3 1 UNL1111111111 -0.2938 7 C 1.0848 -0.1986 2.1930 C.3 1 UNL1111111111 -0.2510 8 C 0.0300 0.8786 2.4422 C.3 1 UNL1111111111 0.0632 9 C -1.3429 -0.1216 0.7710 C.ar 1 UNL1111111111 0.3534 10 C 2.0154 0.2032 1.0951 C.ar 1 UNL1111111111 -0.1566 11 C 0.4059 -1.5160 1.8193 C.2 1 UNL1111111111 0.5088 12 C 0.6824 2.2640 2.4427 C.3 1 UNL1111111111 -0.0753 13 C -2.3889 0.0268 -0.1268 C.ar 1 UNL1111111111 -0.2761 14 C -0.7660 -1.3920 0.9656 C.ar 1 UNL1111111111 -0.3723 15 C -3.1708 1.2123 -0.5714 C.3 1 UNL1111111111 -0.2683 16 C -4.1849 0.5768 -1.5661 C.3 1 UNL1111111111 0.0839 17 C -2.8596 -1.1163 -0.7965 C.ar 1 UNL1111111111 0.3313 18 C 2.0954 1.5364 0.6906 C.ar 1 UNL1111111111 0.2471 19 C -1.2775 -2.5077 0.2896 C.ar 1 UNL1111111111 0.0536 20 C 2.8173 -0.7409 0.4476 C.ar 1 UNL1111111111 -0.1683 21 C -2.3359 -2.3941 -0.6049 C.ar 1 UNL1111111111 -0.3452 22 C -5.6016 0.7125 -1.0896 C.2 1 UNL1111111111 0.0312 23 C 2.9241 1.9439 -0.3589 C.ar 1 UNL1111111111 -0.3140 24 C 3.6391 -0.3650 -0.6043 C.ar 1 UNL1111111111 0.0531 25 C 3.6960 0.9864 -1.0166 C.ar 1 UNL1111111111 0.2305 26 C -6.0664 -0.3252 -0.1304 C.3 1 UNL1111111111 -0.4515 27 C -6.3657 1.7234 -1.5079 C.2 1 UNL1111111111 -0.3674 28 C 4.0713 -2.5935 -1.2595 C.3 1 UNL1111111111 -0.2018 29 C 5.2518 0.6441 -2.7888 C.3 1 UNL1111111111 -0.1929 30 H 1.6800 -0.3591 3.1334 H 1 UNL1111111111 0.1889 31 H -0.5407 0.6844 3.3791 H 1 UNL1111111111 0.1444 32 H -0.0714 3.0772 2.4675 H 1 UNL1111111111 0.1630 33 H 1.3921 2.3748 3.2824 H 1 UNL1111111111 0.1431 34 H -3.6731 1.7265 0.2683 H 1 UNL1111111111 0.1657 35 H -2.5335 1.9723 -1.0604 H 1 UNL1111111111 0.1669 36 H -4.0383 0.9242 -2.6095 H 1 UNL1111111111 0.1522 37 H -0.8175 -3.4853 0.4742 H 1 UNL1111111111 0.1698 38 H 2.7891 -1.7806 0.7815 H 1 UNL1111111111 0.1814 39 H -2.7364 -3.2491 -1.1358 H 1 UNL1111111111 0.1812 40 H 2.9619 2.9882 -0.6619 H 1 UNL1111111111 0.1939 41 H -6.1303 -1.3110 -0.6212 H 1 UNL1111111111 0.1717 42 H -5.3666 -0.4399 0.7117 H 1 UNL1111111111 0.1636 43 H -7.0558 -0.1053 0.2899 H 1 UNL1111111111 0.1537 44 H -7.3804 1.8780 -1.1780 H 1 UNL1111111111 0.1532 45 H -6.0435 2.4744 -2.2102 H 1 UNL1111111111 0.1495 46 H 4.2580 -3.0366 -0.2758 H 1 UNL1111111111 0.1346 47 H 4.7369 -3.0363 -2.0108 H 1 UNL1111111111 0.1443 48 H 3.0240 -2.7110 -1.5547 H 1 UNL1111111111 0.1383 49 H 4.6329 -0.0959 -3.3060 H 1 UNL1111111111 0.1421 50 H 6.0166 0.1603 -2.1713 H 1 UNL1111111111 0.1440 51 H 5.7123 1.3372 -3.5048 H 1 UNL1111111111 0.1439 @BOND 1 1 8 1 2 1 9 1 3 2 12 1 4 2 18 1 5 3 16 1 6 3 17 1 7 4 11 2 8 5 24 1 9 5 28 1 10 6 25 1 11 6 29 1 12 7 8 1 13 7 10 1 14 7 11 1 15 7 30 1 16 8 12 1 17 8 31 1 18 9 13 ar 19 9 14 ar 20 10 18 ar 21 10 20 ar 22 11 14 1 23 12 32 1 24 12 33 1 25 13 15 1 26 13 17 ar 27 14 19 ar 28 15 16 1 29 15 34 1 30 15 35 1 31 16 22 1 32 16 36 1 33 17 21 ar 34 18 23 ar 35 19 21 ar 36 19 37 1 37 20 24 ar 38 20 38 1 39 21 39 1 40 22 26 1 41 22 27 2 42 23 25 ar 43 23 40 1 44 24 25 ar 45 26 41 1 46 26 42 1 47 26 43 1 48 27 44 1 49 27 45 1 50 28 46 1 51 28 47 1 52 28 48 1 53 29 49 1 54 29 50 1 55 29 51 1