@MOLECULE (3s,5e)-3,7-dimethyl-1,5,7-octatrien-3-ol 27 26 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0322 -0.2918 1.3010 O.3 1 UNL1111111111 -0.5651 2 C -1.9452 0.3336 0.0316 C.3 1 UNL1111111111 0.3275 3 C -0.6974 1.2491 0.0114 C.3 1 UNL1111111111 -0.3533 4 C -3.2252 1.1418 -0.2139 C.3 1 UNL1111111111 -0.5089 5 C -1.8145 -0.7731 -0.9795 C.2 1 UNL1111111111 -0.1767 6 C 0.5415 0.4548 0.2593 C.2 1 UNL1111111111 -0.1042 7 C 1.7283 0.7812 -0.2658 C.2 1 UNL1111111111 -0.2220 8 C 2.9633 0.0285 -0.0415 C.2 1 UNL1111111111 0.0784 9 C -1.8757 -2.0656 -0.6672 C.2 1 UNL1111111111 -0.2742 10 C 2.8588 -1.2965 0.6423 C.3 1 UNL1111111111 -0.4585 11 C 4.1456 0.5140 -0.4435 C.2 1 UNL1111111111 -0.3770 12 H -0.7935 2.0337 0.7904 H 1 UNL1111111111 0.1575 13 H -0.6501 1.7932 -0.9518 H 1 UNL1111111111 0.1584 14 H -3.3237 1.9754 0.4873 H 1 UNL1111111111 0.1489 15 H -4.1075 0.4994 -0.0870 H 1 UNL1111111111 0.1678 16 H -3.2587 1.5497 -1.2289 H 1 UNL1111111111 0.1569 17 H -1.6572 -0.4238 -1.9981 H 1 UNL1111111111 0.1468 18 H 0.4011 -0.4141 0.9069 H 1 UNL1111111111 0.1662 19 H -2.1314 0.3684 2.0105 H 1 UNL1111111111 0.3150 20 H 1.8342 1.6565 -0.9103 H 1 UNL1111111111 0.1509 21 H -1.7782 -2.8585 -1.3921 H 1 UNL1111111111 0.1388 22 H -2.0273 -2.4274 0.3421 H 1 UNL1111111111 0.1622 23 H 3.8251 -1.8129 0.7098 H 1 UNL1111111111 0.1531 24 H 2.1696 -1.9663 0.1072 H 1 UNL1111111111 0.1606 25 H 2.4793 -1.1857 1.6685 H 1 UNL1111111111 0.1587 26 H 5.0808 -0.0004 -0.3033 H 1 UNL1111111111 0.1470 27 H 4.2656 1.4619 -0.9396 H 1 UNL1111111111 0.1451 @BOND 1 1 2 1 2 1 19 1 3 2 3 1 4 2 4 1 5 2 5 1 6 3 6 1 7 3 12 1 8 3 13 1 9 4 14 1 10 4 15 1 11 4 16 1 12 5 9 2 13 5 17 1 14 6 7 2 15 6 18 1 16 7 8 1 17 7 20 1 18 8 10 1 19 8 11 2 20 9 21 1 21 9 22 1 22 10 23 1 23 10 24 1 24 10 25 1 25 11 26 1 26 11 27 1