@MOLECULE laevinone a 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4299 -0.1531 0.9117 O.3 1 UNL1111111111 -0.4056 2 O 3.3207 2.7680 0.3598 O.2 1 UNL1111111111 -0.4597 3 O -2.8896 -0.1337 -1.7369 O.2 1 UNL1111111111 -0.4285 4 O -2.5307 2.0621 0.5589 O.2 1 UNL1111111111 -0.5084 5 C 1.6605 -1.0078 -0.1539 C.3 1 UNL1111111111 0.0339 6 C 1.9674 -0.4561 1.2743 C.3 1 UNL1111111111 -0.0722 7 C 1.3991 0.1476 -1.0999 C.2 1 UNL1111111111 0.0862 8 C 3.0905 0.5845 1.2379 C.3 1 UNL1111111111 -0.4011 9 C 0.4926 -1.9478 -0.0228 C.2 1 UNL1111111111 -0.2268 10 C 2.8612 -1.7703 -0.7482 C.3 1 UNL1111111111 -0.4477 11 C 0.5770 -0.1242 -2.3257 C.3 1 UNL1111111111 -0.2897 12 C 2.3253 -1.5680 2.2627 C.3 1 UNL1111111111 -0.4527 13 C 1.9366 1.3597 -0.9003 C.2 1 UNL1111111111 -0.3518 14 C 2.8115 1.6785 0.2385 C.2 1 UNL1111111111 0.4869 15 C -0.7987 -1.6187 0.1029 C.2 1 UNL1111111111 0.0115 16 C -0.7337 0.6669 -2.3320 C.3 1 UNL1111111111 -0.3699 17 C -1.3010 -0.2055 0.0392 C.3 1 UNL1111111111 0.0003 18 C -1.7587 0.0875 -1.3946 C.2 1 UNL1111111111 0.4511 19 C -1.8606 -2.6461 0.2899 C.3 1 UNL1111111111 -0.4488 20 C -2.9993 1.0772 1.0670 C.2 1 UNL1111111111 0.6304 21 C -4.2073 0.9599 1.9254 C.3 1 UNL1111111111 -0.5091 22 H 1.0351 0.0465 1.6424 H 1 UNL1111111111 0.1442 23 H 4.0635 0.1133 0.9896 H 1 UNL1111111111 0.1721 24 H 3.2406 1.0262 2.2452 H 1 UNL1111111111 0.1766 25 H 0.7824 -3.0010 0.0027 H 1 UNL1111111111 0.1604 26 H 2.6193 -2.1834 -1.7342 H 1 UNL1111111111 0.1487 27 H 3.7326 -1.1168 -0.8701 H 1 UNL1111111111 0.1539 28 H 3.1645 -2.6055 -0.1080 H 1 UNL1111111111 0.1518 29 H 1.1704 0.1423 -3.2293 H 1 UNL1111111111 0.1659 30 H 0.3638 -1.2084 -2.4415 H 1 UNL1111111111 0.1630 31 H 2.4493 -1.1676 3.2762 H 1 UNL1111111111 0.1488 32 H 1.5375 -2.3295 2.3119 H 1 UNL1111111111 0.1517 33 H 3.2586 -2.0740 1.9954 H 1 UNL1111111111 0.1457 34 H 1.7722 2.1913 -1.5874 H 1 UNL1111111111 0.1842 35 H -1.1531 0.6997 -3.3617 H 1 UNL1111111111 0.1786 36 H -0.5598 1.7328 -2.0583 H 1 UNL1111111111 0.1903 37 H -0.5602 0.5510 0.3934 H 1 UNL1111111111 0.1735 38 H -2.2489 -2.6206 1.3217 H 1 UNL1111111111 0.1707 39 H -1.5161 -3.6674 0.0904 H 1 UNL1111111111 0.1504 40 H -2.7268 -2.4519 -0.3672 H 1 UNL1111111111 0.1784 41 H -4.1383 0.1279 2.6429 H 1 UNL1111111111 0.1835 42 H -5.1006 0.7768 1.3027 H 1 UNL1111111111 0.1924 43 H -4.3816 1.8908 2.4881 H 1 UNL1111111111 0.1871 @BOND 1 1 17 1 2 1 20 1 3 2 14 2 4 3 18 2 5 4 20 2 6 5 6 1 7 5 7 1 8 5 9 1 9 5 10 1 10 6 8 1 11 6 12 1 12 6 22 1 13 7 11 1 14 7 13 2 15 8 14 1 16 8 23 1 17 8 24 1 18 9 15 2 19 9 25 1 20 10 26 1 21 10 27 1 22 10 28 1 23 11 16 1 24 11 29 1 25 11 30 1 26 12 31 1 27 12 32 1 28 12 33 1 29 13 14 1 30 13 34 1 31 15 17 1 32 15 19 1 33 16 18 1 34 16 35 1 35 16 36 1 36 17 18 1 37 17 37 1 38 19 38 1 39 19 39 1 40 19 40 1 41 20 21 1 42 21 41 1 43 21 42 1 44 21 43 1