@MOLECULE (e,e)-alpha-farnesene 39 38 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.4743 2.0604 0.2215 C.3 1 UNL111111111 -0.2802 2 C 2.7999 1.6624 -0.4613 C.3 1 UNL111111111 -0.2529 3 C 0.4196 1.0233 -0.0339 C.2 1 UNL111111111 0.0447 4 C 0.1477 0.0788 0.8772 C.2 1 UNL111111111 -0.2274 5 C 3.4949 0.6012 0.3274 C.2 1 UNL111111111 -0.2355 6 C -0.8738 -0.9988 0.6826 C.3 1 UNL111111111 -0.2691 7 C -0.2768 1.1057 -1.3518 C.3 1 UNL111111111 -0.4593 8 C 3.4963 -0.7043 0.0265 C.2 1 UNL111111111 0.0604 9 C -2.2493 -0.4304 0.8207 C.2 1 UNL111111111 -0.1588 10 C 4.1999 -1.6971 0.8953 C.3 1 UNL111111111 -0.4572 11 C 2.8048 -1.2818 -1.1641 C.3 1 UNL111111111 -0.4579 12 C -3.2760 -0.6955 -0.0008 C.2 1 UNL111111111 -0.0264 13 C -3.1869 -1.6194 -1.1716 C.3 1 UNL111111111 -0.4430 14 C -4.5944 -0.0917 0.2170 C.2 1 UNL111111111 -0.1291 15 C -4.7708 1.2041 0.4837 C.2 1 UNL111111111 -0.3178 16 H 1.6431 2.1981 1.3081 H 1 UNL111111111 0.1472 17 H 1.1432 3.0493 -0.1512 H 1 UNL111111111 0.1422 18 H 2.5998 1.3388 -1.5016 H 1 UNL111111111 0.1437 19 H 3.4528 2.5541 -0.5505 H 1 UNL111111111 0.1368 20 H 0.6748 0.0441 1.8272 H 1 UNL111111111 0.1500 21 H 4.0070 0.9717 1.2132 H 1 UNL111111111 0.1436 22 H -0.7260 -1.4926 -0.3014 H 1 UNL111111111 0.1477 23 H -0.7353 -1.8094 1.4323 H 1 UNL111111111 0.1511 24 H -1.3688 1.0172 -1.2307 H 1 UNL111111111 0.1666 25 H -0.0831 2.0481 -1.8783 H 1 UNL111111111 0.1500 26 H 0.0399 0.2906 -2.0175 H 1 UNL111111111 0.1515 27 H -2.3705 0.2441 1.6695 H 1 UNL111111111 0.1537 28 H 3.5223 -2.5076 1.1989 H 1 UNL111111111 0.1555 29 H 4.5995 -1.2501 1.8144 H 1 UNL111111111 0.1499 30 H 5.0454 -2.1554 0.3632 H 1 UNL111111111 0.1543 31 H 1.7115 -1.2338 -1.0295 H 1 UNL111111111 0.1655 32 H 3.0429 -0.7291 -2.0831 H 1 UNL111111111 0.1526 33 H 3.0682 -2.3311 -1.3413 H 1 UNL111111111 0.1480 34 H -4.0864 -1.5901 -1.8006 H 1 UNL111111111 0.1506 35 H -3.0521 -2.6607 -0.8454 H 1 UNL111111111 0.1556 36 H -2.3378 -1.3645 -1.8223 H 1 UNL111111111 0.1546 37 H -5.4366 -0.7816 0.1360 H 1 UNL111111111 0.1465 38 H -5.7383 1.6531 0.6408 H 1 UNL111111111 0.1434 39 H -3.9606 1.9136 0.5588 H 1 UNL111111111 0.1486 @BOND 1 1 2 1 2 1 3 1 3 1 16 1 4 1 17 1 5 2 5 1 6 2 18 1 7 2 19 1 8 3 4 2 9 3 7 1 10 4 6 1 11 4 20 1 12 5 8 2 13 5 21 1 14 6 9 1 15 6 22 1 16 6 23 1 17 7 24 1 18 7 25 1 19 7 26 1 20 8 10 1 21 8 11 1 22 9 12 2 23 9 27 1 24 10 28 1 25 10 29 1 26 10 30 1 27 11 31 1 28 11 32 1 29 11 33 1 30 12 13 1 31 12 14 1 32 13 34 1 33 13 35 1 34 13 36 1 35 14 15 2 36 14 37 1 37 15 38 1 38 15 39 1