@MOLECULE (2e,6e,10z)-13-(3,3-dimethyl-2-oxiranyl)-3,7,11-trimethyl-2,6,10-tridecatrien-1-ol 56 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.9130 -1.5141 0.8626 O.3 1 UNL1111111111 -0.3829 2 O 4.6815 -3.6039 -1.1591 O.3 1 UNL1111111111 -0.5510 3 C -4.3816 -1.3178 -0.4549 C.3 1 UNL1111111111 0.1952 4 C -3.7199 -0.7298 0.7552 C.3 1 UNL1111111111 -0.0059 5 C -2.4798 -1.3218 1.3743 C.3 1 UNL1111111111 -0.2812 6 C -3.8531 -2.5553 -1.1242 C.3 1 UNL1111111111 -0.4647 7 C -5.2043 -0.4177 -1.3376 C.3 1 UNL1111111111 -0.4707 8 C -1.2286 -0.8310 0.6300 C.3 1 UNL1111111111 -0.2810 9 C -1.1100 0.6644 0.7150 C.2 1 UNL1111111111 0.0277 10 C -1.3939 1.4324 -0.3457 C.2 1 UNL1111111111 -0.2137 11 C -0.6746 1.2066 2.0353 C.3 1 UNL1111111111 -0.4546 12 C -1.3003 2.9231 -0.3726 C.3 1 UNL1111111111 -0.2536 13 C -0.1485 3.3767 -1.2940 C.3 1 UNL1111111111 -0.2854 14 C 1.1564 2.8265 -0.7925 C.2 1 UNL1111111111 0.0352 15 C 1.6369 1.6784 -1.2883 C.2 1 UNL1111111111 -0.2248 16 C 2.8592 0.9807 -0.7932 C.3 1 UNL1111111111 -0.2543 17 C 1.8314 3.6187 0.2771 C.3 1 UNL1111111111 -0.4549 18 C 2.4239 -0.1205 0.1950 C.3 1 UNL1111111111 -0.2896 19 C 3.6192 -0.7752 0.8132 C.2 1 UNL1111111111 0.0212 20 C 4.0832 -0.1692 2.0969 C.3 1 UNL1111111111 -0.4496 21 C 4.2398 -1.8294 0.2717 C.2 1 UNL1111111111 -0.2315 22 C 3.8214 -2.4778 -1.0050 C.3 1 UNL1111111111 0.0093 23 H -3.8669 0.3344 0.9729 H 1 UNL1111111111 0.1516 24 H -2.4270 -1.0390 2.4452 H 1 UNL1111111111 0.1525 25 H -2.5234 -2.4284 1.3667 H 1 UNL1111111111 0.1526 26 H -3.0209 -2.3168 -1.7978 H 1 UNL1111111111 0.1544 27 H -3.4947 -3.2932 -0.3927 H 1 UNL1111111111 0.1630 28 H -5.6861 0.3862 -0.7639 H 1 UNL1111111111 0.1624 29 H -4.5841 0.0493 -2.1124 H 1 UNL1111111111 0.1556 30 H -6.0095 -0.9727 -1.8368 H 1 UNL1111111111 0.1595 31 H -4.6322 -3.0550 -1.7153 H 1 UNL1111111111 0.1576 32 H -1.2684 -1.1687 -0.4260 H 1 UNL1111111111 0.1456 33 H -0.3238 -1.3111 1.0562 H 1 UNL1111111111 0.1491 34 H -1.7023 0.9911 -1.2917 H 1 UNL1111111111 0.1440 35 H -1.4894 1.7574 2.5270 H 1 UNL1111111111 0.1579 36 H -0.3500 0.4227 2.7311 H 1 UNL1111111111 0.1513 37 H 0.1680 1.9052 1.9179 H 1 UNL1111111111 0.1574 38 H -2.2569 3.3528 -0.7358 H 1 UNL1111111111 0.1404 39 H -1.1529 3.3453 0.6402 H 1 UNL1111111111 0.1426 40 H -0.1185 4.4817 -1.3425 H 1 UNL1111111111 0.1415 41 H -0.3481 3.0419 -2.3314 H 1 UNL1111111111 0.1447 42 H 1.1065 1.1469 -2.0771 H 1 UNL1111111111 0.1463 43 H 3.4287 0.5374 -1.6335 H 1 UNL1111111111 0.1418 44 H 3.5648 1.6772 -0.3008 H 1 UNL1111111111 0.1450 45 H 2.6405 4.2321 -0.1470 H 1 UNL1111111111 0.1584 46 H 2.2802 2.9742 1.0459 H 1 UNL1111111111 0.1542 47 H 1.1422 4.3002 0.7920 H 1 UNL1111111111 0.1503 48 H 1.7812 -0.8572 -0.3263 H 1 UNL1111111111 0.1440 49 H 1.7672 0.3237 0.9724 H 1 UNL1111111111 0.1554 50 H 4.2008 0.9198 2.0057 H 1 UNL1111111111 0.1530 51 H 3.3594 -0.3554 2.9035 H 1 UNL1111111111 0.1553 52 H 5.0490 -0.5714 2.4310 H 1 UNL1111111111 0.1531 53 H 5.1109 -2.2962 0.7348 H 1 UNL1111111111 0.1733 54 H 3.9567 -1.8054 -1.8747 H 1 UNL1111111111 0.1207 55 H 2.7750 -2.8390 -0.9704 H 1 UNL1111111111 0.1199 56 H 4.4933 -4.0584 -2.0000 H 1 UNL1111111111 0.3064 @BOND 1 1 3 1 2 1 4 1 3 2 22 1 4 2 56 1 5 3 4 1 6 3 6 1 7 3 7 1 8 4 5 1 9 4 23 1 10 5 8 1 11 5 24 1 12 5 25 1 13 6 26 1 14 6 27 1 15 6 31 1 16 7 28 1 17 7 29 1 18 7 30 1 19 8 9 1 20 8 32 1 21 8 33 1 22 9 10 2 23 9 11 1 24 10 12 1 25 10 34 1 26 11 35 1 27 11 36 1 28 11 37 1 29 12 13 1 30 12 38 1 31 12 39 1 32 13 14 1 33 13 40 1 34 13 41 1 35 14 15 2 36 14 17 1 37 15 16 1 38 15 42 1 39 16 18 1 40 16 43 1 41 16 44 1 42 17 45 1 43 17 46 1 44 17 47 1 45 18 19 1 46 18 48 1 47 18 49 1 48 19 20 1 49 19 21 2 50 20 50 1 51 20 51 1 52 20 52 1 53 21 22 1 54 21 53 1 55 22 54 1 56 22 55 1