@MOLECULE (1e,5e)-1-{6-[3-(4-hydroxybutyl)-2-oxiranyl]-2-pyridinyl}-1,5-undecadien-3-ol 59 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.5363 1.7082 0.8414 O.3 1 UNL1111111111 -0.3434 2 O 1.4313 2.5223 0.1524 O.3 1 UNL1111111111 -0.5956 3 O 4.7859 0.7061 1.3344 O.3 1 UNL1111111111 -0.5569 4 N -0.2824 0.1671 1.3822 N.ar 1 UNL1111111111 -0.4427 5 C -2.6521 1.7394 -0.2866 C.3 1 UNL1111111111 0.0338 6 C -2.1369 1.6454 1.1150 C.3 1 UNL1111111111 -0.0193 7 C -2.5337 3.0356 -1.0440 C.3 1 UNL1111111111 -0.3010 8 C -1.0746 3.5126 -1.0795 C.3 1 UNL1111111111 -0.2511 9 C -1.6050 0.3419 1.5853 C.ar 1 UNL1111111111 0.1679 10 C -0.1344 2.4804 -1.7145 C.3 1 UNL1111111111 -0.3234 11 C -2.4214 -0.6334 2.1670 C.ar 1 UNL1111111111 -0.2380 12 C 1.3046 2.7051 -1.2402 C.3 1 UNL1111111111 0.0176 13 C 0.2809 -1.0076 1.7449 C.ar 1 UNL1111111111 0.2230 14 C -1.8332 -1.8368 2.5541 C.ar 1 UNL1111111111 -0.0624 15 C -0.4733 -2.0359 2.3412 C.ar 1 UNL1111111111 -0.2523 16 C 1.6991 -1.1963 1.4333 C.2 1 UNL1111111111 -0.2253 17 C 2.5669 -0.1822 1.3372 C.2 1 UNL1111111111 -0.1109 18 C 3.9826 -0.3606 0.8754 C.3 1 UNL1111111111 0.1519 19 C -0.3119 -1.5182 -1.8925 C.3 1 UNL1111111111 -0.2720 20 C -1.3639 -2.6301 -1.9287 C.3 1 UNL1111111111 -0.2702 21 C 1.0298 -1.9852 -2.4855 C.3 1 UNL1111111111 -0.2787 22 C 4.0606 -0.3970 -0.6711 C.3 1 UNL1111111111 -0.3270 23 C -2.6600 -2.1598 -1.2540 C.3 1 UNL1111111111 -0.2527 24 C 2.0911 -1.0341 -2.0361 C.2 1 UNL1111111111 -0.1453 25 C 3.0967 -1.3881 -1.2307 C.2 1 UNL1111111111 -0.1737 26 C -3.6877 -3.2888 -1.1907 C.3 1 UNL1111111111 -0.4370 27 H -2.7082 0.8338 -0.9013 H 1 UNL1111111111 0.1521 28 H -1.7311 2.5260 1.6294 H 1 UNL1111111111 0.1824 29 H -2.9240 2.9194 -2.0736 H 1 UNL1111111111 0.1489 30 H -3.1722 3.8120 -0.5727 H 1 UNL1111111111 0.1597 31 H -0.7292 3.7405 -0.0480 H 1 UNL1111111111 0.1594 32 H -1.0083 4.4712 -1.6263 H 1 UNL1111111111 0.1316 33 H -0.1898 2.5297 -2.8157 H 1 UNL1111111111 0.1403 34 H -0.4425 1.4502 -1.4436 H 1 UNL1111111111 0.1528 35 H -3.4848 -0.4467 2.3039 H 1 UNL1111111111 0.1841 36 H 1.6445 3.7452 -1.3944 H 1 UNL1111111111 0.1311 37 H 2.0090 2.0105 -1.7340 H 1 UNL1111111111 0.1047 38 H -2.4382 -2.6175 3.0157 H 1 UNL1111111111 0.1575 39 H 0.0067 -2.9668 2.6277 H 1 UNL1111111111 0.1693 40 H 1.9921 -2.2290 1.2393 H 1 UNL1111111111 0.1635 41 H 0.8526 1.7850 0.4733 H 1 UNL1111111111 0.3542 42 H -0.1542 -1.1895 -0.8449 H 1 UNL1111111111 0.1507 43 H -0.6752 -0.6283 -2.4374 H 1 UNL1111111111 0.1330 44 H 2.2847 0.8500 1.5723 H 1 UNL1111111111 0.1802 45 H 4.4805 -1.2465 1.3331 H 1 UNL1111111111 0.1516 46 H -0.9810 -3.5322 -1.4161 H 1 UNL1111111111 0.1361 47 H -1.5652 -2.9351 -2.9717 H 1 UNL1111111111 0.1366 48 H 0.9718 -2.0202 -3.5905 H 1 UNL1111111111 0.1436 49 H 1.2488 -3.0226 -2.1673 H 1 UNL1111111111 0.1428 50 H 3.8778 0.6231 -1.0660 H 1 UNL1111111111 0.1553 51 H 5.0994 -0.6416 -0.9727 H 1 UNL1111111111 0.1594 52 H -2.4417 -1.7962 -0.2302 H 1 UNL1111111111 0.1371 53 H -3.0809 -1.2966 -1.8025 H 1 UNL1111111111 0.1312 54 H 1.9514 -0.0079 -2.3731 H 1 UNL1111111111 0.1423 55 H 3.2516 -2.4161 -0.9112 H 1 UNL1111111111 0.1441 56 H -3.3061 -4.1465 -0.6263 H 1 UNL1111111111 0.1405 57 H -3.9547 -3.6448 -2.1917 H 1 UNL1111111111 0.1412 58 H -4.6103 -2.9568 -0.7013 H 1 UNL1111111111 0.1429 59 H 4.3734 1.5698 1.1187 H 1 UNL1111111111 0.3246 @BOND 1 1 5 1 2 1 6 1 3 2 12 1 4 2 41 1 5 3 18 1 6 3 59 1 7 4 9 ar 8 4 13 ar 9 5 6 1 10 5 7 1 11 5 27 1 12 6 9 1 13 6 28 1 14 7 8 1 15 7 29 1 16 7 30 1 17 8 10 1 18 8 31 1 19 8 32 1 20 9 11 ar 21 10 12 1 22 10 33 1 23 10 34 1 24 11 14 ar 25 11 35 1 26 12 36 1 27 12 37 1 28 13 15 ar 29 13 16 1 30 14 15 ar 31 14 38 1 32 15 39 1 33 16 17 2 34 16 40 1 35 17 18 1 36 17 44 1 37 18 22 1 38 18 45 1 39 19 20 1 40 19 21 1 41 19 42 1 42 19 43 1 43 20 23 1 44 20 46 1 45 20 47 1 46 21 24 1 47 21 48 1 48 21 49 1 49 22 25 1 50 22 50 1 51 22 51 1 52 23 26 1 53 23 52 1 54 23 53 1 55 24 25 2 56 24 54 1 57 25 55 1 58 26 56 1 59 26 57 1 60 26 58 1