@MOLECULE (+)-beta-selinene 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.0067 0.9675 0.1367 C.3 1 UNL1111111111 0.0977 2 C -0.6498 -0.4269 -0.4528 C.3 1 UNL1111111111 -0.1507 3 C 0.0715 1.9830 -0.3079 C.3 1 UNL1111111111 -0.3011 4 C 0.7452 -0.8738 0.0043 C.3 1 UNL1111111111 -0.2796 5 C -2.3662 1.4109 -0.4583 C.3 1 UNL1111111111 -0.3021 6 C 1.8012 0.1442 -0.4647 C.3 1 UNL1111111111 -0.1284 7 C 1.4834 1.5433 0.0937 C.3 1 UNL1111111111 -0.2669 8 C -1.7414 -1.4068 -0.1234 C.2 1 UNL1111111111 0.0623 9 C -3.4721 0.3860 -0.1804 C.3 1 UNL1111111111 -0.2551 10 C -1.0998 0.9334 1.6671 C.3 1 UNL1111111111 -0.4613 11 C -3.0784 -1.0100 -0.6852 C.3 1 UNL1111111111 -0.2967 12 C 3.1744 -0.2943 -0.0229 C.2 1 UNL1111111111 0.0655 13 C -1.5827 -2.5278 0.5813 C.2 1 UNL1111111111 -0.4000 14 C 4.1467 -0.5375 -1.1304 C.3 1 UNL1111111111 -0.4634 15 C 3.5075 -0.4588 1.2595 C.2 1 UNL1111111111 -0.3893 16 H -0.6197 -0.3228 -1.5708 H 1 UNL1111111111 0.1460 17 H -0.1492 2.9727 0.1324 H 1 UNL1111111111 0.1385 18 H 0.0246 2.1205 -1.4042 H 1 UNL1111111111 0.1358 19 H 0.7763 -0.9820 1.1040 H 1 UNL1111111111 0.1503 20 H 0.9797 -1.8729 -0.4080 H 1 UNL1111111111 0.1418 21 H -2.2644 1.5590 -1.5491 H 1 UNL1111111111 0.1362 22 H -2.6524 2.3937 -0.0430 H 1 UNL1111111111 0.1370 23 H 1.7595 0.1985 -1.5810 H 1 UNL1111111111 0.1399 24 H 2.2273 2.2722 -0.2774 H 1 UNL1111111111 0.1348 25 H 1.5859 1.5455 1.1951 H 1 UNL1111111111 0.1446 26 H -4.4148 0.7086 -0.6596 H 1 UNL1111111111 0.1315 27 H -3.6830 0.3429 0.9055 H 1 UNL1111111111 0.1416 28 H -1.4702 1.8827 2.0650 H 1 UNL1111111111 0.1411 29 H -1.7756 0.1386 2.0054 H 1 UNL1111111111 0.1535 30 H -0.1248 0.7393 2.1276 H 1 UNL1111111111 0.1487 31 H -3.0344 -1.0171 -1.7930 H 1 UNL1111111111 0.1469 32 H -3.8639 -1.7418 -0.4154 H 1 UNL1111111111 0.1437 33 H -0.6474 -2.8525 1.0035 H 1 UNL1111111111 0.1510 34 H -2.3851 -3.2135 0.7962 H 1 UNL1111111111 0.1468 35 H 3.7870 -1.3252 -1.8080 H 1 UNL1111111111 0.1575 36 H 4.2993 0.3697 -1.7319 H 1 UNL1111111111 0.1551 37 H 5.1331 -0.8521 -0.7657 H 1 UNL1111111111 0.1528 38 H 4.4834 -0.7722 1.5884 H 1 UNL1111111111 0.1462 39 H 2.8291 -0.2933 2.0796 H 1 UNL1111111111 0.1479 @BOND 1 1 2 1 2 1 3 1 3 1 5 1 4 1 10 1 5 2 4 1 6 2 8 1 7 2 16 1 8 3 7 1 9 3 17 1 10 3 18 1 11 4 6 1 12 4 19 1 13 4 20 1 14 5 9 1 15 5 21 1 16 5 22 1 17 6 7 1 18 6 12 1 19 6 23 1 20 7 24 1 21 7 25 1 22 8 11 1 23 8 13 2 24 9 11 1 25 9 26 1 26 9 27 1 27 10 28 1 28 10 29 1 29 10 30 1 30 11 31 1 31 11 32 1 32 12 14 1 33 12 15 2 34 13 33 1 35 13 34 1 36 14 35 1 37 14 36 1 38 14 37 1 39 15 38 1 40 15 39 1