@MOLECULE (+)-sclareolide 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.9546 0.7756 0.5207 O.3 1 UNL1111111111 -0.4340 2 O 4.5161 -0.8201 0.4704 O.2 1 UNL1111111111 -0.4497 3 C -0.3976 -0.6849 -0.3168 C.3 1 UNL1111111111 0.0914 4 C -1.2417 0.3860 0.4528 C.3 1 UNL1111111111 -0.1489 5 C 1.0286 -0.4921 0.2237 C.3 1 UNL1111111111 -0.1962 6 C -2.7598 0.3393 0.1216 C.3 1 UNL1111111111 0.1022 7 C 1.6135 0.9289 -0.0221 C.3 1 UNL1111111111 0.2892 8 C -0.6670 1.8126 0.3230 C.3 1 UNL1111111111 -0.2753 9 C -0.8793 -2.1061 0.0898 C.3 1 UNL1111111111 -0.2985 10 C 0.7975 1.9231 0.7913 C.3 1 UNL1111111111 -0.3178 11 C -3.1901 -1.1153 -0.1881 C.3 1 UNL1111111111 -0.2950 12 C -2.3353 -2.1288 0.5737 C.3 1 UNL1111111111 -0.2640 13 C 2.2104 -1.3784 -0.1818 C.3 1 UNL1111111111 -0.3871 14 C -0.4743 -0.5584 -1.8381 C.3 1 UNL1111111111 -0.4603 15 C -3.1585 1.2291 -1.0662 C.3 1 UNL1111111111 -0.4695 16 C -3.5388 0.8308 1.3615 C.3 1 UNL1111111111 -0.4694 17 C 1.8466 1.4010 -1.4548 C.3 1 UNL1111111111 -0.4871 18 C 3.3753 -0.5153 0.2811 C.2 1 UNL1111111111 0.6022 19 H -1.1531 0.1076 1.5377 H 1 UNL1111111111 0.1426 20 H 0.9373 -0.6020 1.3456 H 1 UNL1111111111 0.1578 21 H -1.2887 2.5092 0.9174 H 1 UNL1111111111 0.1410 22 H -0.7461 2.1598 -0.7239 H 1 UNL1111111111 0.1429 23 H -0.2327 -2.5229 0.8844 H 1 UNL1111111111 0.1373 24 H -0.7603 -2.7937 -0.7676 H 1 UNL1111111111 0.1413 25 H 1.1716 2.9547 0.6579 H 1 UNL1111111111 0.1562 26 H 0.8872 1.7162 1.8737 H 1 UNL1111111111 0.1571 27 H -3.1161 -1.3129 -1.2739 H 1 UNL1111111111 0.1408 28 H -4.2579 -1.2527 0.0604 H 1 UNL1111111111 0.1362 29 H -2.7540 -3.1452 0.4517 H 1 UNL1111111111 0.1320 30 H -2.3813 -1.9176 1.6592 H 1 UNL1111111111 0.1363 31 H 2.2595 -1.5780 -1.2650 H 1 UNL1111111111 0.1758 32 H 2.2141 -2.3631 0.3127 H 1 UNL1111111111 0.1755 33 H 0.3439 -1.0985 -2.3264 H 1 UNL1111111111 0.1444 34 H -1.4124 -0.9732 -2.2274 H 1 UNL1111111111 0.1492 35 H -0.4324 0.4847 -2.1665 H 1 UNL1111111111 0.1493 36 H -2.5543 1.0201 -1.9531 H 1 UNL1111111111 0.1466 37 H -4.2078 1.0691 -1.3394 H 1 UNL1111111111 0.1448 38 H -3.0486 2.2930 -0.8319 H 1 UNL1111111111 0.1461 39 H -3.2232 1.8343 1.6629 H 1 UNL1111111111 0.1442 40 H -4.6143 0.8735 1.1620 H 1 UNL1111111111 0.1445 41 H -3.3911 0.1641 2.2171 H 1 UNL1111111111 0.1443 42 H 2.6781 2.1238 -1.4740 H 1 UNL1111111111 0.1712 43 H 2.1201 0.5803 -2.1251 H 1 UNL1111111111 0.1541 44 H 0.9734 1.9070 -1.8784 H 1 UNL1111111111 0.1564 @BOND 1 1 7 1 2 1 18 1 3 2 18 2 4 3 4 1 5 3 5 1 6 3 9 1 7 3 14 1 8 4 6 1 9 4 8 1 10 4 19 1 11 5 7 1 12 5 13 1 13 5 20 1 14 6 11 1 15 6 15 1 16 6 16 1 17 7 10 1 18 7 17 1 19 8 10 1 20 8 21 1 21 8 22 1 22 9 12 1 23 9 23 1 24 9 24 1 25 10 25 1 26 10 26 1 27 11 12 1 28 11 27 1 29 11 28 1 30 12 29 1 31 12 30 1 32 13 18 1 33 13 31 1 34 13 32 1 35 14 33 1 36 14 34 1 37 14 35 1 38 15 36 1 39 15 37 1 40 15 38 1 41 16 39 1 42 16 40 1 43 16 41 1 44 17 42 1 45 17 43 1 46 17 44 1