@MOLECULE 2-[2-({(2e,6e)-3,7-dimethyl-9-[(1s,6r)-1,2,6-trimethyl-2-cyclohexen-1-yl]-2,6-nonadien-1-yl}sulfonyl)ethyl]guanidine 70 70 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.4755 -0.1091 0.7655 S.O2 1 UNL1111111111 2.2293 2 O -1.0913 -0.3722 1.0944 O.2 1 UNL1111111111 -0.9024 3 O -2.8674 -0.0417 -0.6417 O.2 1 UNL1111111111 -0.9738 4 N -2.9949 -3.3831 0.2105 N.pl3 1 UNL1111111111 -0.6329 5 N -2.4363 -2.5168 -1.9891 N.pl3 1 UNL1111111111 -0.6869 6 N -1.5113 -4.5321 -1.1637 N.pl3 1 UNL1111111111 -0.6398 7 C 2.7362 -0.6460 0.5856 C.3 1 UNL1111111111 0.0631 8 C 2.5677 -1.5942 -0.6385 C.3 1 UNL1111111111 -0.0908 9 C 1.9473 0.6635 0.3428 C.3 1 UNL1111111111 -0.2876 10 C 3.5631 -2.7638 -0.5623 C.3 1 UNL1111111111 -0.2814 11 C 4.2031 -0.3554 0.8236 C.2 1 UNL1111111111 0.0100 12 C 2.1683 -1.2982 1.8625 C.3 1 UNL1111111111 -0.4576 13 C 4.9943 -2.2216 -0.6468 C.3 1 UNL1111111111 -0.2631 14 C 1.1427 -2.1387 -0.7742 C.3 1 UNL1111111111 -0.4629 15 C 5.1969 -1.0687 0.2788 C.2 1 UNL1111111111 -0.2244 16 C 2.4079 1.4489 -0.8932 C.3 1 UNL1111111111 -0.2989 17 C 4.5294 0.7820 1.7425 C.3 1 UNL1111111111 -0.4538 18 C 1.6988 2.7728 -0.9455 C.2 1 UNL1111111111 0.0350 19 C 0.4325 2.8398 -1.3747 C.2 1 UNL1111111111 -0.2227 20 C 2.5054 3.9405 -0.4854 C.3 1 UNL1111111111 -0.4526 21 C -0.3794 4.0878 -1.4866 C.3 1 UNL1111111111 -0.2538 22 C -1.1270 4.3780 -0.1709 C.3 1 UNL1111111111 -0.2950 23 C -2.1586 3.3286 0.1220 C.2 1 UNL1111111111 0.0878 24 C -2.0098 2.4990 1.1665 C.2 1 UNL1111111111 -0.2468 25 C -2.9757 1.4315 1.5441 C.3 1 UNL1111111111 -0.5624 26 C -3.3244 3.2720 -0.8060 C.3 1 UNL1111111111 -0.4704 27 C -3.4888 -1.3687 1.5384 C.3 1 UNL1111111111 -0.6190 28 C -4.0238 -2.4108 0.5284 C.3 1 UNL1111111111 -0.0341 29 C -2.3462 -3.4027 -0.9208 C.cat 1 UNL1111111111 0.5567 30 H 2.8064 -1.0032 -1.5572 H 1 UNL1111111111 0.1344 31 H 2.0073 1.3060 1.2396 H 1 UNL1111111111 0.1373 32 H 0.8652 0.4218 0.2477 H 1 UNL1111111111 0.1803 33 H 3.3758 -3.4822 -1.3784 H 1 UNL1111111111 0.1287 34 H 3.4243 -3.3250 0.3797 H 1 UNL1111111111 0.1395 35 H 1.0737 -1.4013 1.7926 H 1 UNL1111111111 0.1774 36 H 2.3732 -0.6938 2.7500 H 1 UNL1111111111 0.1350 37 H 2.5957 -2.2897 2.0294 H 1 UNL1111111111 0.1378 38 H 5.7172 -3.0297 -0.4195 H 1 UNL1111111111 0.1350 39 H 5.2184 -1.9019 -1.6865 H 1 UNL1111111111 0.1414 40 H 0.9179 -2.8744 0.0048 H 1 UNL1111111111 0.1422 41 H 0.9924 -2.6015 -1.7518 H 1 UNL1111111111 0.1225 42 H 0.3997 -1.3333 -0.6604 H 1 UNL1111111111 0.1752 43 H 6.2391 -0.8355 0.4826 H 1 UNL1111111111 0.1382 44 H 2.1961 0.8653 -1.8128 H 1 UNL1111111111 0.1476 45 H 3.5069 1.5762 -0.8777 H 1 UNL1111111111 0.1474 46 H 3.8731 0.7963 2.6229 H 1 UNL1111111111 0.1525 47 H 5.5614 0.7366 2.1124 H 1 UNL1111111111 0.1469 48 H 4.4088 1.7463 1.2280 H 1 UNL1111111111 0.1555 49 H -0.1031 1.9331 -1.6636 H 1 UNL1111111111 0.1594 50 H 2.9729 3.7359 0.4888 H 1 UNL1111111111 0.1535 51 H 1.9108 4.8537 -0.3695 H 1 UNL1111111111 0.1459 52 H 3.3135 4.1635 -1.1970 H 1 UNL1111111111 0.1548 53 H 0.2567 4.9569 -1.7498 H 1 UNL1111111111 0.1384 54 H -1.1043 3.9951 -2.3215 H 1 UNL1111111111 0.1407 55 H -1.6103 5.3737 -0.2278 H 1 UNL1111111111 0.1410 56 H -0.3871 4.4518 0.6527 H 1 UNL1111111111 0.1506 57 H -1.1267 2.5609 1.8050 H 1 UNL1111111111 0.1632 58 H -4.0088 1.6997 1.2369 H 1 UNL1111111111 0.1749 59 H -3.0092 1.3306 2.6465 H 1 UNL1111111111 0.1700 60 H -3.3390 2.3057 -1.3493 H 1 UNL1111111111 0.1938 61 H -3.3066 4.0606 -1.5678 H 1 UNL1111111111 0.1483 62 H -4.2808 3.3589 -0.2756 H 1 UNL1111111111 0.1473 63 H -2.8812 -1.9162 2.2961 H 1 UNL1111111111 0.2053 64 H -4.3356 -0.9341 2.0914 H 1 UNL1111111111 0.1595 65 H -4.4870 -1.9194 -0.3569 H 1 UNL1111111111 0.1379 66 H -4.8474 -2.9903 1.0189 H 1 UNL1111111111 0.1431 67 H -2.7122 -1.5568 -1.8034 H 1 UNL1111111111 0.3525 68 H -1.8811 -2.6629 -2.8051 H 1 UNL1111111111 0.2991 69 H -0.5531 -4.3152 -1.3875 H 1 UNL1111111111 0.2819 70 H -1.5741 -5.2443 -0.4474 H 1 UNL1111111111 0.2951 @BOND 1 1 2 2 2 1 3 2 3 1 25 1 4 1 27 1 5 4 28 1 6 4 29 2 7 5 29 1 8 5 67 1 9 5 68 1 10 6 29 1 11 6 69 1 12 6 70 1 13 7 8 1 14 7 9 1 15 7 11 1 16 7 12 1 17 8 10 1 18 8 14 1 19 8 30 1 20 9 16 1 21 9 31 1 22 9 32 1 23 10 13 1 24 10 33 1 25 10 34 1 26 11 15 2 27 11 17 1 28 12 35 1 29 12 36 1 30 12 37 1 31 13 15 1 32 13 38 1 33 13 39 1 34 14 40 1 35 14 41 1 36 14 42 1 37 15 43 1 38 16 18 1 39 16 44 1 40 16 45 1 41 17 46 1 42 17 47 1 43 17 48 1 44 18 19 2 45 18 20 1 46 19 21 1 47 19 49 1 48 20 50 1 49 20 51 1 50 20 52 1 51 21 22 1 52 21 53 1 53 21 54 1 54 22 23 1 55 22 55 1 56 22 56 1 57 23 24 2 58 23 26 1 59 24 25 1 60 24 57 1 61 25 58 1 62 25 59 1 63 26 60 1 64 26 61 1 65 26 62 1 66 27 28 1 67 27 63 1 68 27 64 1 69 28 65 1 70 28 66 1