@MOLECULE xeniolide f 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1754 2.6272 -0.5408 O.3 1 UNL1111111111 -0.3937 2 O 5.6739 -1.4987 -0.4863 O.3 1 UNL1111111111 -0.5521 3 O -1.6549 1.8218 -1.9411 O.2 1 UNL1111111111 -0.4364 4 O -5.5663 0.6222 0.0033 O.3 1 UNL1111111111 -0.5605 5 C 0.7873 -0.0796 -0.2352 C.3 1 UNL1111111111 -0.1024 6 C 1.6044 1.1584 0.2164 C.3 1 UNL1111111111 -0.1826 7 C 1.2691 -0.6641 -1.5796 C.3 1 UNL1111111111 -0.2680 8 C 2.4478 0.8542 1.4265 C.2 1 UNL1111111111 0.0455 9 C 0.6648 2.3262 0.5641 C.3 1 UNL1111111111 -0.0342 10 C -0.6667 0.2712 -0.3854 C.2 1 UNL1111111111 -0.1776 11 C 2.7627 -1.0274 -1.6272 C.3 1 UNL1111111111 -0.2902 12 C 3.9011 1.2155 1.3489 C.3 1 UNL1111111111 -0.2897 13 C 4.6401 0.5550 0.1819 C.3 1 UNL1111111111 -0.3209 14 C 4.5601 -0.9806 0.2220 C.3 1 UNL1111111111 0.1389 15 C 3.2967 -1.5883 -0.3460 C.2 1 UNL1111111111 -0.0148 16 C -0.9126 1.5791 -1.0272 C.2 1 UNL1111111111 0.5930 17 C -1.6474 -0.5464 0.0260 C.2 1 UNL1111111111 -0.0896 18 C 1.9265 0.3389 2.5438 C.2 1 UNL1111111111 -0.3759 19 C 2.7374 -2.6402 0.2572 C.2 1 UNL1111111111 -0.3367 20 C -3.0658 -0.2470 -0.0915 C.2 1 UNL1111111111 -0.1495 21 C -3.9952 -1.0319 0.4688 C.2 1 UNL1111111111 -0.1733 22 C -5.4685 -0.7438 0.3699 C.3 1 UNL1111111111 0.3412 23 C -6.1614 -0.9354 1.7248 C.3 1 UNL1111111111 -0.5069 24 C -6.1053 -1.6113 -0.7229 C.3 1 UNL1111111111 -0.5066 25 H 0.8998 -0.8811 0.5423 H 1 UNL1111111111 0.1650 26 H 2.2486 1.4851 -0.6377 H 1 UNL1111111111 0.1655 27 H 1.0448 0.0479 -2.3997 H 1 UNL1111111111 0.1520 28 H 0.6644 -1.5676 -1.8003 H 1 UNL1111111111 0.1473 29 H 0.0370 2.1168 1.4481 H 1 UNL1111111111 0.1387 30 H 1.2116 3.2754 0.7131 H 1 UNL1111111111 0.1491 31 H 3.3405 -0.1362 -1.9483 H 1 UNL1111111111 0.1438 32 H 2.9208 -1.7725 -2.4395 H 1 UNL1111111111 0.1540 33 H 3.9948 2.3208 1.2628 H 1 UNL1111111111 0.1542 34 H 4.4168 0.9580 2.2988 H 1 UNL1111111111 0.1517 35 H 4.2742 0.9498 -0.7833 H 1 UNL1111111111 0.1456 36 H 5.7146 0.8393 0.2225 H 1 UNL1111111111 0.1608 37 H 4.7615 -1.3499 1.2577 H 1 UNL1111111111 0.1494 38 H -1.3990 -1.5055 0.4948 H 1 UNL1111111111 0.1523 39 H 0.8848 0.0877 2.6618 H 1 UNL1111111111 0.1517 40 H 2.5010 0.1215 3.4287 H 1 UNL1111111111 0.1495 41 H 3.1124 -3.0795 1.1679 H 1 UNL1111111111 0.1488 42 H 1.8616 -3.1462 -0.1177 H 1 UNL1111111111 0.1495 43 H 5.5640 -1.3892 -1.4496 H 1 UNL1111111111 0.3113 44 H -3.3462 0.6521 -0.6575 H 1 UNL1111111111 0.1980 45 H -3.7493 -1.9316 1.0278 H 1 UNL1111111111 0.1452 46 H -6.0708 -1.9633 2.0867 H 1 UNL1111111111 0.1520 47 H -5.7176 -0.2705 2.4778 H 1 UNL1111111111 0.1656 48 H -7.2275 -0.6946 1.6686 H 1 UNL1111111111 0.1511 49 H -5.9519 -2.6775 -0.5318 H 1 UNL1111111111 0.1545 50 H -5.6592 -1.3805 -1.7006 H 1 UNL1111111111 0.1703 51 H -7.1823 -1.4380 -0.8028 H 1 UNL1111111111 0.1499 52 H -6.4912 0.8763 -0.1682 H 1 UNL1111111111 0.3166 @BOND 1 1 9 1 2 1 16 1 3 2 14 1 4 2 43 1 5 3 16 2 6 4 22 1 7 4 52 1 8 5 6 1 9 5 7 1 10 5 10 1 11 5 25 1 12 6 8 1 13 6 9 1 14 6 26 1 15 7 11 1 16 7 27 1 17 7 28 1 18 8 12 1 19 8 18 2 20 9 29 1 21 9 30 1 22 10 16 1 23 10 17 2 24 11 15 1 25 11 31 1 26 11 32 1 27 12 13 1 28 12 33 1 29 12 34 1 30 13 14 1 31 13 35 1 32 13 36 1 33 14 15 1 34 14 37 1 35 15 19 2 36 17 20 1 37 17 38 1 38 18 39 1 39 18 40 1 40 19 41 1 41 19 42 1 42 20 21 2 43 20 44 1 44 21 22 1 45 21 45 1 46 22 23 1 47 22 24 1 48 23 46 1 49 23 47 1 50 23 48 1 51 24 49 1 52 24 50 1 53 24 51 1