@MOLECULE galanolactone 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0317 -3.3659 -0.0559 O.3 1 UNL1111111111 -0.3675 2 O 4.9911 0.8787 -0.7298 O.3 1 UNL1111111111 -0.3930 3 O 4.1396 2.1403 0.8945 O.2 1 UNL1111111111 -0.4476 4 C -1.0227 0.3307 0.4068 C.3 1 UNL1111111111 0.0858 5 C -2.3849 -0.0322 -0.2541 C.3 1 UNL1111111111 -0.1499 6 C -0.8389 -2.1836 0.0130 C.3 1 UNL1111111111 0.1686 7 C -0.0585 -0.8847 0.1511 C.3 1 UNL1111111111 -0.1532 8 C -3.3721 1.1461 -0.4979 C.3 1 UNL1111111111 0.1052 9 C -3.0624 -1.1814 0.5190 C.3 1 UNL1111111111 -0.2728 10 C -2.0742 -2.3070 0.8631 C.3 1 UNL1111111111 -0.3012 11 C -0.4049 1.5540 -0.3098 C.3 1 UNL1111111111 -0.2964 12 C -0.7264 -2.9821 -1.2462 C.3 1 UNL1111111111 -0.1690 13 C -2.6266 2.3280 -1.1587 C.3 1 UNL1111111111 -0.2973 14 C -1.3777 2.7318 -0.3747 C.3 1 UNL1111111111 -0.2575 15 C -1.1618 0.6387 1.9000 C.3 1 UNL1111111111 -0.4581 16 C 1.0385 -1.0862 1.2167 C.3 1 UNL1111111111 -0.2985 17 C -4.1006 1.6381 0.7597 C.3 1 UNL1111111111 -0.4640 18 C -4.4514 0.6700 -1.5001 C.3 1 UNL1111111111 -0.4741 19 C 2.0476 0.0090 1.1653 C.2 1 UNL1111111111 -0.0460 20 C 3.0562 0.0436 0.2909 C.2 1 UNL1111111111 -0.1862 21 C 3.4151 -0.9393 -0.7727 C.3 1 UNL1111111111 -0.3015 22 C 4.0548 1.1366 0.2444 C.2 1 UNL1111111111 0.5916 23 C 4.7052 -0.3606 -1.3898 C.3 1 UNL1111111111 -0.0333 24 H -2.1326 -0.4146 -1.2800 H 1 UNL1111111111 0.1384 25 H 0.4609 -0.6955 -0.8247 H 1 UNL1111111111 0.1473 26 H -3.8952 -1.5866 -0.0850 H 1 UNL1111111111 0.1376 27 H -3.5216 -0.7984 1.4487 H 1 UNL1111111111 0.1449 28 H -1.7909 -2.2664 1.9347 H 1 UNL1111111111 0.1546 29 H -2.5518 -3.2991 0.7323 H 1 UNL1111111111 0.1537 30 H -0.1035 1.2784 -1.3394 H 1 UNL1111111111 0.1353 31 H 0.5258 1.8606 0.2038 H 1 UNL1111111111 0.1464 32 H -1.5179 -3.6593 -1.5531 H 1 UNL1111111111 0.1512 33 H -0.0936 -2.6587 -2.0665 H 1 UNL1111111111 0.1448 34 H -3.3097 3.1919 -1.2545 H 1 UNL1111111111 0.1351 35 H -2.3420 2.0555 -2.1926 H 1 UNL1111111111 0.1377 36 H -1.6466 3.0716 0.6409 H 1 UNL1111111111 0.1389 37 H -0.8882 3.5979 -0.8601 H 1 UNL1111111111 0.1352 38 H -1.9323 1.4000 2.0772 H 1 UNL1111111111 0.1517 39 H -1.4477 -0.2449 2.4782 H 1 UNL1111111111 0.1451 40 H -0.2310 1.0330 2.3224 H 1 UNL1111111111 0.1479 41 H 1.5319 -2.0721 1.0420 H 1 UNL1111111111 0.1731 42 H 0.5892 -1.1781 2.2254 H 1 UNL1111111111 0.1593 43 H -4.7092 0.8504 1.2140 H 1 UNL1111111111 0.1429 44 H -3.3994 1.9992 1.5208 H 1 UNL1111111111 0.1489 45 H -4.7740 2.4693 0.5220 H 1 UNL1111111111 0.1440 46 H -5.0769 -0.1184 -1.0716 H 1 UNL1111111111 0.1447 47 H -5.1152 1.4941 -1.7809 H 1 UNL1111111111 0.1446 48 H -4.0061 0.2785 -2.4195 H 1 UNL1111111111 0.1429 49 H 1.9236 0.8097 1.9028 H 1 UNL1111111111 0.1659 50 H 3.5748 -1.9539 -0.3602 H 1 UNL1111111111 0.1661 51 H 2.6130 -1.0456 -1.5262 H 1 UNL1111111111 0.1600 52 H 5.5907 -0.9944 -1.2261 H 1 UNL1111111111 0.1394 53 H 4.6079 -0.1085 -2.4574 H 1 UNL1111111111 0.1384 @BOND 1 1 6 1 2 1 12 1 3 2 22 1 4 2 23 1 5 3 22 2 6 4 5 1 7 4 7 1 8 4 11 1 9 4 15 1 10 5 8 1 11 5 9 1 12 5 24 1 13 6 7 1 14 6 10 1 15 6 12 1 16 7 16 1 17 7 25 1 18 8 13 1 19 8 17 1 20 8 18 1 21 9 10 1 22 9 26 1 23 9 27 1 24 10 28 1 25 10 29 1 26 11 14 1 27 11 30 1 28 11 31 1 29 12 32 1 30 12 33 1 31 13 14 1 32 13 34 1 33 13 35 1 34 14 36 1 35 14 37 1 36 15 38 1 37 15 39 1 38 15 40 1 39 16 19 1 40 16 41 1 41 16 42 1 42 17 43 1 43 17 44 1 44 17 45 1 45 18 46 1 46 18 47 1 47 18 48 1 48 19 20 2 49 19 49 1 50 20 21 1 51 20 22 1 52 21 23 1 53 21 50 1 54 21 51 1 55 23 52 1 56 23 53 1