@MOLECULE laulimalide (fijianolide b) 70 73 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0983 -2.5276 2.5098 O.3 1 UNL11111111 -0.3787 2 O 2.6535 -3.6173 -0.1334 O.3 1 UNL11111111 -0.5618 3 O -0.7785 -2.1007 -0.8040 O.3 1 UNL11111111 -0.4523 4 O 1.5615 2.4580 -1.0373 O.3 1 UNL11111111 -0.4073 5 O -3.7917 -3.6661 0.4241 O.3 1 UNL11111111 -0.5468 6 O -2.6737 2.0330 -0.5886 O.3 1 UNL11111111 -0.2989 7 O -0.8528 -3.3369 -2.6794 O.2 1 UNL11111111 -0.5153 8 C 1.4244 -2.1488 1.1677 C.3 1 UNL11111111 -0.0131 9 C 0.4374 -3.2348 1.4533 C.3 1 UNL11111111 0.0507 10 C 2.8355 -2.5161 0.7471 C.3 1 UNL11111111 0.1400 11 C -1.0355 -2.9325 1.3593 C.3 1 UNL11111111 -0.3308 12 C -1.5245 -3.0729 -0.0823 C.3 1 UNL11111111 0.1021 13 C 3.5611 -1.3854 0.0006 C.3 1 UNL11111111 -0.3578 14 C 4.0631 -0.2851 0.8833 C.2 1 UNL11111111 0.0551 15 C -3.0235 -2.6879 -0.2532 C.3 1 UNL11111111 0.1016 16 C 5.0182 0.6730 0.2253 C.3 1 UNL11111111 -0.3182 17 C 4.2690 1.7531 -0.5856 C.3 1 UNL11111111 -0.0631 18 C 3.5478 2.7387 0.3498 C.3 1 UNL11111111 -0.3560 19 C 2.3629 3.4040 -0.3657 C.3 1 UNL11111111 0.1344 20 C 5.2542 2.5009 -1.4911 C.3 1 UNL11111111 -0.4593 21 C -3.3033 -1.3835 0.4301 C.2 1 UNL11111111 -0.1240 22 C 1.4924 4.2215 0.6066 C.3 1 UNL11111111 -0.3421 23 C 3.7143 -0.1343 2.1633 C.2 1 UNL11111111 -0.3865 24 C 0.9317 1.4896 -0.2106 C.3 1 UNL11111111 0.1410 25 C -0.4516 -2.3577 -2.1055 C.2 1 UNL11111111 0.6437 26 C 0.6274 3.3207 1.4254 C.2 1 UNL11111111 -0.1008 27 C -3.3094 -0.2257 -0.2333 C.2 1 UNL11111111 -0.1992 28 C -0.1551 0.9053 -1.1365 C.3 1 UNL11111111 -0.3201 29 C 0.3449 2.0743 1.0401 C.2 1 UNL11111111 -0.2412 30 C -3.3924 1.0931 0.4496 C.3 1 UNL11111111 -0.0343 31 C 0.3885 -1.2591 -2.5934 C.2 1 UNL11111111 -0.3469 32 C 0.3365 -0.0805 -2.0331 C.2 1 UNL11111111 0.0845 33 C -4.7227 1.4380 0.9093 C.3 1 UNL11111111 0.1102 34 C -5.3955 2.6377 0.5572 C.2 1 UNL11111111 -0.5521 35 C -3.4389 3.0553 -0.7683 C.3 1 UNL11111111 0.1513 36 C -4.5829 3.3859 -0.3224 C.2 1 UNL11111111 -0.2125 37 C -6.5952 2.9689 1.0467 C.3 1 UNL11111111 0.5988 38 H 1.0751 -1.1554 0.8756 H 1 UNL11111111 0.1657 39 H 0.7323 -4.2826 1.3454 H 1 UNL11111111 0.1628 40 H 3.4301 -2.8690 1.6224 H 1 UNL11111111 0.1389 41 H -1.6240 -3.6015 2.0215 H 1 UNL11111111 0.1718 42 H -1.2236 -1.9031 1.7355 H 1 UNL11111111 0.1739 43 H -1.3338 -4.0918 -0.4850 H 1 UNL11111111 0.1495 44 H 2.8903 -0.9656 -0.7833 H 1 UNL11111111 0.1765 45 H 4.4088 -1.8215 -0.5706 H 1 UNL11111111 0.1580 46 H -3.2959 -2.6792 -1.3323 H 1 UNL11111111 0.1408 47 H 5.6676 1.1604 0.9778 H 1 UNL11111111 0.1499 48 H 5.7151 0.1282 -0.4413 H 1 UNL11111111 0.1463 49 H 3.5113 1.2453 -1.2364 H 1 UNL11111111 0.1571 50 H 3.5077 -3.9228 -0.4923 H 1 UNL11111111 0.3143 51 H 3.1844 2.2114 1.2549 H 1 UNL11111111 0.1641 52 H 4.2462 3.5083 0.7201 H 1 UNL11111111 0.1419 53 H 2.7088 4.0273 -1.2224 H 1 UNL11111111 0.1346 54 H 4.7399 3.2739 -2.0744 H 1 UNL11111111 0.1479 55 H 6.0444 2.9927 -0.9154 H 1 UNL11111111 0.1417 56 H 5.7336 1.8235 -2.2059 H 1 UNL11111111 0.1427 57 H -3.4735 -1.4569 1.5059 H 1 UNL11111111 0.1728 58 H 0.8387 4.9073 0.0221 H 1 UNL11111111 0.1681 59 H 2.1233 4.8740 1.2367 H 1 UNL11111111 0.1475 60 H 3.0297 -0.7773 2.6943 H 1 UNL11111111 0.1631 61 H 4.0874 0.6578 2.7922 H 1 UNL11111111 0.1500 62 H 1.7012 0.7239 0.0565 H 1 UNL11111111 0.1368 63 H -3.8813 -4.4688 -0.1290 H 1 UNL11111111 0.3205 64 H 0.2309 3.7544 2.3408 H 1 UNL11111111 0.1407 65 H -3.2224 -0.1642 -1.3205 H 1 UNL11111111 0.1809 66 H -0.6312 1.7575 -1.6999 H 1 UNL11111111 0.2162 67 H -0.9838 0.4768 -0.5111 H 1 UNL11111111 0.1941 68 H -0.2883 1.4091 1.6183 H 1 UNL11111111 0.1476 69 H -2.6681 1.1931 1.3026 H 1 UNL11111111 0.1864 70 H 1.0323 -1.5062 -3.4362 H 1 UNL11111111 0.2024 @BOND 1 37 34 1 2 34 36 2 3 34 33 1 4 36 35 1 5 33 30 1 6 35 6 1 7 6 30 1 8 65 27 1 9 30 27 1 10 30 69 1 11 27 21 2 12 46 15 1 13 21 15 1 14 21 57 1 15 66 28 1 16 15 5 1 17 15 12 1 18 7 25 2 19 63 5 1 20 25 31 1 21 25 3 1 22 28 67 1 23 28 32 1 24 28 24 1 25 31 32 2 26 31 70 1 27 58 22 1 28 3 12 1 29 12 43 1 30 12 11 1 31 4 24 1 32 4 19 1 33 68 29 1 34 29 26 2 35 29 24 1 36 53 19 1 37 64 26 1 38 26 22 1 39 24 62 1 40 22 19 1 41 22 59 1 42 19 18 1 43 42 11 1 44 11 41 1 45 11 9 1 46 54 20 1 47 49 17 1 48 38 8 1 49 44 13 1 50 18 17 1 51 18 51 1 52 18 52 1 53 9 8 1 54 9 39 1 55 9 1 1 56 17 20 1 57 17 16 1 58 8 1 1 59 8 10 1 60 20 56 1 61 20 55 1 62 2 10 1 63 2 50 1 64 13 10 1 65 13 45 1 66 13 14 1 67 10 40 1 68 14 16 1 69 14 23 2 70 16 48 1 71 16 47 1 72 60 23 1 73 23 61 1