@MOLECULE gon-4-en-3-one, 1,17-bis(acetyloxy)-13-ethyl-, (1beta,17beta)- 60 63 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2070 0.8177 0.0139 O.3 1 UNL1111111111 -0.4479 2 O 3.9541 1.3931 -0.0721 O.3 1 UNL1111111111 -0.4446 3 O 5.4412 -1.4389 1.6621 O.2 1 UNL1111111111 -0.4630 4 O -6.3149 0.0617 -0.1800 O.2 1 UNL1111111111 -0.5156 5 O 2.5898 2.9556 -0.9317 O.2 1 UNL1111111111 -0.5285 6 C -2.2316 -0.4462 0.4912 C.3 1 UNL1111111111 0.0290 7 C -1.5310 -1.6029 -0.2889 C.3 1 UNL1111111111 -0.1424 8 C -0.1486 -1.2003 -0.8428 C.3 1 UNL1111111111 -0.1169 9 C 0.6202 -0.3448 0.1891 C.3 1 UNL1111111111 -0.1015 10 C -1.6152 0.9009 0.1002 C.3 1 UNL1111111111 -0.2688 11 C -3.7096 -0.5217 0.0159 C.3 1 UNL1111111111 0.1167 12 C -2.4842 -2.0300 -1.4336 C.3 1 UNL1111111111 -0.2798 13 C -0.1233 0.9816 0.4383 C.3 1 UNL1111111111 -0.2949 14 C 2.0548 -0.0627 -0.3265 C.3 1 UNL1111111111 -0.2138 15 C -3.6857 -1.0793 -1.4099 C.3 1 UNL1111111111 -0.3232 16 C 0.6314 -2.4816 -1.1957 C.3 1 UNL1111111111 -0.2749 17 C -2.1532 -0.7052 2.0071 C.3 1 UNL1111111111 -0.2736 18 C 2.0424 -2.1508 -1.7042 C.3 1 UNL1111111111 -0.3055 19 C 2.7272 -1.3692 -0.6283 C.2 1 UNL1111111111 0.1293 20 C 2.8634 0.8041 0.6549 C.3 1 UNL1111111111 0.1461 21 C -2.8441 0.3739 2.8399 C.3 1 UNL1111111111 -0.4355 22 C 3.5709 0.0150 1.7517 C.3 1 UNL1111111111 -0.4193 23 C 3.7932 -1.8360 0.0335 C.2 1 UNL1111111111 -0.3713 24 C 4.3856 -1.1209 1.1703 C.2 1 UNL1111111111 0.5096 25 C -5.5474 0.9851 -0.0917 C.2 1 UNL1111111111 0.6275 26 C 3.6928 2.4791 -0.8395 C.2 1 UNL1111111111 0.6349 27 C -5.8734 2.4399 -0.0791 C.3 1 UNL1111111111 -0.5112 28 C 4.9463 2.9374 -1.4983 C.3 1 UNL1111111111 -0.5112 29 H -1.3963 -2.4656 0.4032 H 1 UNL1111111111 0.1366 30 H -0.2830 -0.5905 -1.7674 H 1 UNL1111111111 0.1467 31 H 0.6911 -0.9162 1.1434 H 1 UNL1111111111 0.1394 32 H -2.1551 1.7295 0.6001 H 1 UNL1111111111 0.1519 33 H -1.7692 1.0716 -0.9840 H 1 UNL1111111111 0.1461 34 H -4.3409 -1.1313 0.6949 H 1 UNL1111111111 0.1419 35 H -2.8107 -3.0739 -1.2869 H 1 UNL1111111111 0.1389 36 H -1.9842 -2.0063 -2.4153 H 1 UNL1111111111 0.1422 37 H 0.3277 1.8005 -0.1619 H 1 UNL1111111111 0.1591 38 H -0.0002 1.2820 1.4959 H 1 UNL1111111111 0.1373 39 H 1.9639 0.5189 -1.2860 H 1 UNL1111111111 0.1792 40 H -3.5661 -0.2606 -2.1418 H 1 UNL1111111111 0.1535 41 H -4.6316 -1.5843 -1.6669 H 1 UNL1111111111 0.1577 42 H 0.0815 -3.0609 -1.9593 H 1 UNL1111111111 0.1408 43 H 0.7041 -3.1407 -0.3085 H 1 UNL1111111111 0.1458 44 H -1.0915 -0.7820 2.3143 H 1 UNL1111111111 0.1424 45 H -2.6026 -1.6910 2.2377 H 1 UNL1111111111 0.1341 46 H 1.9933 -1.5708 -2.6472 H 1 UNL1111111111 0.1560 47 H 2.5882 -3.0804 -1.9575 H 1 UNL1111111111 0.1537 48 H 2.2456 1.6269 1.0829 H 1 UNL1111111111 0.1494 49 H -2.3117 1.3301 2.7810 H 1 UNL1111111111 0.1455 50 H -3.8699 0.5534 2.4969 H 1 UNL1111111111 0.1490 51 H -2.8933 0.0869 3.8959 H 1 UNL1111111111 0.1389 52 H 2.8352 -0.3949 2.4723 H 1 UNL1111111111 0.1794 53 H 4.2343 0.6853 2.3403 H 1 UNL1111111111 0.1879 54 H 4.2807 -2.7743 -0.2208 H 1 UNL1111111111 0.1798 55 H -4.9780 3.0761 -0.0066 H 1 UNL1111111111 0.1838 56 H -6.5293 2.6802 0.7725 H 1 UNL1111111111 0.1848 57 H -6.4142 2.7209 -0.9968 H 1 UNL1111111111 0.1857 58 H 5.8011 2.2713 -1.2928 H 1 UNL1111111111 0.1910 59 H 5.2191 3.9471 -1.1519 H 1 UNL1111111111 0.1865 60 H 4.8148 2.9910 -2.5906 H 1 UNL1111111111 0.1853 @BOND 1 1 11 1 2 1 25 1 3 2 20 1 4 2 26 1 5 3 24 2 6 4 25 2 7 5 26 2 8 6 7 1 9 6 10 1 10 6 11 1 11 6 17 1 12 7 8 1 13 7 12 1 14 7 29 1 15 8 9 1 16 8 16 1 17 8 30 1 18 9 13 1 19 9 14 1 20 9 31 1 21 10 13 1 22 10 32 1 23 10 33 1 24 11 15 1 25 11 34 1 26 12 15 1 27 12 35 1 28 12 36 1 29 13 37 1 30 13 38 1 31 14 19 1 32 14 20 1 33 14 39 1 34 15 40 1 35 15 41 1 36 16 18 1 37 16 42 1 38 16 43 1 39 17 21 1 40 17 44 1 41 17 45 1 42 18 19 1 43 18 46 1 44 18 47 1 45 19 23 2 46 20 22 1 47 20 48 1 48 21 49 1 49 21 50 1 50 21 51 1 51 22 24 1 52 22 52 1 53 22 53 1 54 23 24 1 55 23 54 1 56 25 27 1 57 26 28 1 58 27 55 1 59 27 56 1 60 27 57 1 61 28 58 1 62 28 59 1 63 28 60 1