@MOLECULE ethyl (5e,8e,11e,14e,17e)-5,8,11,14,17-icosapentaenoate 58 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.0457 0.7297 -0.9090 O.3 1 UNL1111111111 -0.4391 2 O 5.1987 0.3446 0.9859 O.2 1 UNL1111111111 -0.5133 3 C 2.6845 -1.6047 0.6647 C.3 1 UNL1111111111 -0.2545 4 C 1.9331 -2.8773 0.2497 C.3 1 UNL1111111111 -0.2718 5 C 3.9968 -1.4601 -0.1150 C.3 1 UNL1111111111 -0.3506 6 C 0.5827 -2.8943 0.8928 C.2 1 UNL1111111111 -0.1785 7 C -0.5534 -2.8649 0.1915 C.2 1 UNL1111111111 -0.1471 8 C -1.9055 -2.9030 0.8312 C.3 1 UNL1111111111 -0.2894 9 C 4.5044 -0.0619 0.0916 C.2 1 UNL1111111111 0.6129 10 C -2.7639 -1.7942 0.3099 C.2 1 UNL1111111111 -0.1591 11 C -4.8375 -0.8894 -0.7426 C.3 1 UNL1111111111 -0.2832 12 C -3.9649 -1.9989 -0.2384 C.2 1 UNL1111111111 -0.1663 13 C -4.1133 2.7265 0.4694 C.3 1 UNL1111111111 -0.2856 14 C -4.6906 0.3414 0.0944 C.2 1 UNL1111111111 -0.1585 15 C -4.3830 1.5395 -0.4083 C.2 1 UNL1111111111 -0.1562 16 C -0.4515 1.9147 1.4385 C.3 1 UNL1111111111 -0.2814 17 C 4.2629 2.1367 -0.7962 C.3 1 UNL1111111111 0.0118 18 C -2.6232 2.8116 0.6249 C.2 1 UNL1111111111 -0.1599 19 C -1.9486 1.9780 1.4222 C.2 1 UNL1111111111 -0.1462 20 C -0.0614 0.8534 0.4511 C.2 1 UNL1111111111 -0.1818 21 C 0.3778 0.0581 -1.8677 C.3 1 UNL1111111111 -0.2657 22 C 0.0784 1.1124 -0.8520 C.2 1 UNL1111111111 -0.1452 23 C 3.2831 2.7241 0.2062 C.3 1 UNL1111111111 -0.4882 24 C -0.9066 -0.3002 -2.6219 C.3 1 UNL1111111111 -0.4339 25 H 2.8846 -1.6123 1.7533 H 1 UNL1111111111 0.1507 26 H 2.0392 -0.7172 0.4827 H 1 UNL1111111111 0.1611 27 H 2.5076 -3.7775 0.5503 H 1 UNL1111111111 0.1476 28 H 1.8555 -2.9333 -0.8548 H 1 UNL1111111111 0.1439 29 H 3.8381 -1.6648 -1.1942 H 1 UNL1111111111 0.1746 30 H 4.7512 -2.1919 0.2376 H 1 UNL1111111111 0.1733 31 H 0.5943 -2.9314 1.9802 H 1 UNL1111111111 0.1464 32 H -0.5684 -2.8161 -0.8969 H 1 UNL1111111111 0.1502 33 H -1.8369 -2.8193 1.9387 H 1 UNL1111111111 0.1554 34 H -2.3671 -3.8985 0.6469 H 1 UNL1111111111 0.1544 35 H -2.3373 -0.7943 0.4201 H 1 UNL1111111111 0.1624 36 H -4.5906 -0.6892 -1.8091 H 1 UNL1111111111 0.1551 37 H -5.9043 -1.2055 -0.7472 H 1 UNL1111111111 0.1534 38 H -4.3814 -2.9965 -0.3596 H 1 UNL1111111111 0.1425 39 H -4.5278 3.6520 0.0225 H 1 UNL1111111111 0.1472 40 H -4.6139 2.6309 1.4547 H 1 UNL1111111111 0.1522 41 H -4.8263 0.1789 1.1626 H 1 UNL1111111111 0.1480 42 H -4.2480 1.7135 -1.4722 H 1 UNL1111111111 0.1445 43 H -0.0722 1.6746 2.4524 H 1 UNL1111111111 0.1500 44 H 0.0022 2.8933 1.1812 H 1 UNL1111111111 0.1494 45 H 4.0688 2.4726 -1.8320 H 1 UNL1111111111 0.1361 46 H 5.3154 2.3301 -0.5239 H 1 UNL1111111111 0.1357 47 H -2.1297 3.5486 -0.0013 H 1 UNL1111111111 0.1435 48 H -2.4491 1.2453 2.0512 H 1 UNL1111111111 0.1451 49 H 0.0433 -0.1488 0.8632 H 1 UNL1111111111 0.1526 50 H 0.8032 -0.8520 -1.3976 H 1 UNL1111111111 0.1462 51 H 1.1537 0.4136 -2.5755 H 1 UNL1111111111 0.1462 52 H -0.0546 2.1136 -1.2581 H 1 UNL1111111111 0.1425 53 H 2.2592 2.3712 0.0123 H 1 UNL1111111111 0.1667 54 H 3.5391 2.4266 1.2326 H 1 UNL1111111111 0.1662 55 H 3.2767 3.8181 0.1681 H 1 UNL1111111111 0.1521 56 H -1.3366 0.5755 -3.1195 H 1 UNL1111111111 0.1435 57 H -0.7216 -1.0642 -3.3830 H 1 UNL1111111111 0.1398 58 H -1.6694 -0.6907 -1.9342 H 1 UNL1111111111 0.1522 @BOND 1 1 9 1 2 1 17 1 3 2 9 2 4 3 4 1 5 3 5 1 6 3 25 1 7 3 26 1 8 4 6 1 9 4 27 1 10 4 28 1 11 5 9 1 12 5 29 1 13 5 30 1 14 6 7 2 15 6 31 1 16 7 8 1 17 7 32 1 18 8 10 1 19 8 33 1 20 8 34 1 21 10 12 2 22 10 35 1 23 11 12 1 24 11 14 1 25 11 36 1 26 11 37 1 27 12 38 1 28 13 15 1 29 13 18 1 30 13 39 1 31 13 40 1 32 14 15 2 33 14 41 1 34 15 42 1 35 16 19 1 36 16 20 1 37 16 43 1 38 16 44 1 39 17 23 1 40 17 45 1 41 17 46 1 42 18 19 2 43 18 47 1 44 19 48 1 45 20 22 2 46 20 49 1 47 21 22 1 48 21 24 1 49 21 50 1 50 21 51 1 51 22 52 1 52 23 53 1 53 23 54 1 54 23 55 1 55 24 56 1 56 24 57 1 57 24 58 1