@MOLECULE (e)-beta-farnesene 39 38 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.8738 -1.1537 0.7624 C.3 1 UNL1111111111 -0.2837 2 C -1.4980 -1.6139 0.3669 C.2 1 UNL1111111111 0.0350 3 C -3.2555 0.1308 -0.0024 C.3 1 UNL1111111111 -0.2539 4 C 0.9955 -1.4891 0.7004 C.3 1 UNL1111111111 -0.2556 5 C -0.4245 -1.1711 1.0339 C.2 1 UNL1111111111 -0.2211 6 C 1.4690 -0.5758 -0.4500 C.3 1 UNL1111111111 -0.2899 7 C -2.3750 1.2694 0.3991 C.2 1 UNL1111111111 -0.2278 8 C -1.4486 -2.5562 -0.7879 C.3 1 UNL1111111111 -0.4534 9 C -1.4540 1.8408 -0.3884 C.2 1 UNL1111111111 0.0535 10 C 2.9469 -0.3403 -0.3664 C.2 1 UNL1111111111 0.0387 11 C -0.5987 2.9619 0.1078 C.3 1 UNL1111111111 -0.4595 12 C -1.1950 1.4203 -1.7980 C.3 1 UNL1111111111 -0.4601 13 C 3.3912 0.9236 0.2317 C.2 1 UNL1111111111 -0.1410 14 C 3.8289 -1.2404 -0.8154 C.2 1 UNL1111111111 -0.3594 15 C 2.7718 1.5197 1.2530 C.2 1 UNL1111111111 -0.3084 16 H -2.9282 -0.9666 1.8531 H 1 UNL1111111111 0.1460 17 H -3.6244 -1.9420 0.5610 H 1 UNL1111111111 0.1399 18 H -3.2121 -0.0597 -1.0922 H 1 UNL1111111111 0.1416 19 H -4.3145 0.3852 0.2094 H 1 UNL1111111111 0.1381 20 H 1.1245 -2.5524 0.4215 H 1 UNL1111111111 0.1438 21 H 1.6424 -1.3446 1.5897 H 1 UNL1111111111 0.1464 22 H -0.5418 -0.4830 1.8708 H 1 UNL1111111111 0.1480 23 H 1.1948 -1.0243 -1.4241 H 1 UNL1111111111 0.1454 24 H 0.9143 0.3867 -0.4145 H 1 UNL1111111111 0.1627 25 H -2.5264 1.6075 1.4222 H 1 UNL1111111111 0.1441 26 H -0.4419 -2.6542 -1.2144 H 1 UNL1111111111 0.1536 27 H -1.7704 -3.5626 -0.4822 H 1 UNL1111111111 0.1555 28 H -2.1130 -2.2330 -1.6011 H 1 UNL1111111111 0.1511 29 H -0.9093 3.3295 1.0939 H 1 UNL1111111111 0.1502 30 H 0.4515 2.6424 0.1986 H 1 UNL1111111111 0.1599 31 H -0.6212 3.8182 -0.5799 H 1 UNL1111111111 0.1551 32 H -2.0131 1.7375 -2.4600 H 1 UNL1111111111 0.1566 33 H -1.1106 0.3255 -1.8803 H 1 UNL1111111111 0.1603 34 H -0.2673 1.8444 -2.2025 H 1 UNL1111111111 0.1514 35 H 4.2924 1.3518 -0.2132 H 1 UNL1111111111 0.1472 36 H 3.5446 -2.1828 -1.2535 H 1 UNL1111111111 0.1484 37 H 4.8966 -1.1074 -0.7688 H 1 UNL1111111111 0.1458 38 H 3.1117 2.4415 1.6975 H 1 UNL1111111111 0.1424 39 H 1.8840 1.1261 1.7276 H 1 UNL1111111111 0.1532 @BOND 1 1 2 1 2 1 3 1 3 1 16 1 4 1 17 1 5 2 5 2 6 2 8 1 7 3 7 1 8 3 18 1 9 3 19 1 10 4 5 1 11 4 6 1 12 4 20 1 13 4 21 1 14 5 22 1 15 6 10 1 16 6 23 1 17 6 24 1 18 7 9 2 19 7 25 1 20 8 26 1 21 8 27 1 22 8 28 1 23 9 11 1 24 9 12 1 25 10 13 1 26 10 14 2 27 11 29 1 28 11 30 1 29 11 31 1 30 12 32 1 31 12 33 1 32 12 34 1 33 13 15 2 34 13 35 1 35 14 36 1 36 14 37 1 37 15 38 1 38 15 39 1