@MOLECULE (5s,8s,9r)-8-benzoyl-2-{(2s,3r)-3-[(1z)-1-buten-1-yl]-2-oxiranyl}-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.3465 -0.5693 -0.3253 O.2 1 UNL1111111111 -0.2708 2 O 3.7520 -0.2335 -2.0305 O.3 1 UNL1111111111 -0.3019 3 O -3.0868 -1.6145 0.2744 O.3 1 UNL1111111111 -0.4009 4 O -1.1804 -2.7531 -1.0826 O.3 1 UNL1111111111 -0.5130 5 O 0.2902 -3.6077 1.1069 O.2 1 UNL1111111111 -0.4139 6 O 0.3074 -0.2523 2.4490 O.2 1 UNL1111111111 -0.4398 7 O -2.2844 0.5737 -2.1014 O.2 1 UNL1111111111 -0.4022 8 N -1.5729 -0.1620 1.1478 N.am 1 UNL1111111111 -0.6155 9 C 0.2744 -1.3321 0.2424 C.3 1 UNL1111111111 -0.0824 10 C -0.8705 -1.4362 -0.7846 C.3 1 UNL1111111111 0.1079 11 C -2.0887 -0.6971 -0.1027 C.3 1 UNL1111111111 0.2687 12 C 3.7009 -0.5762 -0.6429 C.3 1 UNL1111111111 -0.0458 13 C 2.5100 -1.2999 -0.1926 C.2 1 UNL1111111111 0.2354 14 C 3.5855 0.8483 -1.1092 C.3 1 UNL1111111111 0.0420 15 C 0.9038 -2.6843 0.6576 C.2 1 UNL1111111111 0.4825 16 C -0.2670 -0.5430 1.4359 C.2 1 UNL1111111111 0.5730 17 C 2.3338 -2.5252 0.3555 C.2 1 UNL1111111111 -0.2384 18 C -2.6691 0.4525 -0.9663 C.2 1 UNL1111111111 0.4038 19 C 4.7385 1.7489 -0.9531 C.2 1 UNL1111111111 -0.2456 20 C 3.3232 -3.5728 0.6416 C.3 1 UNL1111111111 -0.4016 21 C -3.6354 1.3878 -0.3589 C.ar 1 UNL1111111111 -0.1585 22 C -3.9273 -2.0618 -0.7808 C.3 1 UNL1111111111 -0.1958 23 C 4.7657 2.7020 -0.0169 C.2 1 UNL1111111111 -0.0962 24 C -3.6780 2.6893 -0.8678 C.ar 1 UNL1111111111 -0.0769 25 C -4.4921 1.0143 0.6782 C.ar 1 UNL1111111111 -0.1134 26 C 5.9221 3.6294 0.1656 C.3 1 UNL1111111111 -0.2665 27 C -4.5667 3.6174 -0.3307 C.ar 1 UNL1111111111 -0.1742 28 C -5.3809 1.9440 1.2107 C.ar 1 UNL1111111111 -0.1704 29 C 6.3592 3.6581 1.6319 C.3 1 UNL1111111111 -0.4314 30 C -5.4165 3.2451 0.7092 C.ar 1 UNL1111111111 -0.1017 31 H -0.5992 -0.9902 -1.7735 H 1 UNL1111111111 0.2035 32 H 4.6501 -0.9522 -0.2360 H 1 UNL1111111111 0.1807 33 H 2.5950 1.3247 -1.1599 H 1 UNL1111111111 0.1774 34 H -2.1856 0.2655 1.8216 H 1 UNL1111111111 0.3379 35 H -1.4217 -3.2651 -0.2653 H 1 UNL1111111111 0.3482 36 H 5.5586 1.5778 -1.6503 H 1 UNL1111111111 0.1702 37 H 2.8495 -4.5675 0.7187 H 1 UNL1111111111 0.1719 38 H 3.8352 -3.3956 1.6023 H 1 UNL1111111111 0.1615 39 H 4.0961 -3.6463 -0.1375 H 1 UNL1111111111 0.1550 40 H -4.6411 -1.2773 -1.0518 H 1 UNL1111111111 0.1267 41 H -3.3541 -2.3881 -1.6577 H 1 UNL1111111111 0.1602 42 H -4.4447 -2.9158 -0.3255 H 1 UNL1111111111 0.1533 43 H 3.9367 2.8567 0.6760 H 1 UNL1111111111 0.1520 44 H -3.0138 2.9721 -1.6887 H 1 UNL1111111111 0.1701 45 H -4.4799 -0.0056 1.0720 H 1 UNL1111111111 0.1742 46 H 5.6329 4.6507 -0.1650 H 1 UNL1111111111 0.1506 47 H 6.7803 3.3471 -0.4773 H 1 UNL1111111111 0.1453 48 H -4.5984 4.6317 -0.7252 H 1 UNL1111111111 0.1570 49 H -6.0494 1.6546 2.0202 H 1 UNL1111111111 0.1578 50 H 6.6569 2.6608 1.9776 H 1 UNL1111111111 0.1487 51 H 7.2149 4.3263 1.7785 H 1 UNL1111111111 0.1422 52 H 5.5532 4.0066 2.2880 H 1 UNL1111111111 0.1467 53 H -6.1108 3.9712 1.1314 H 1 UNL1111111111 0.1521 @BOND 1 1 9 1 2 1 13 1 3 2 12 1 4 2 14 1 5 3 11 1 6 3 22 1 7 4 10 1 8 4 35 1 9 5 15 2 10 6 16 2 11 7 18 2 12 8 11 1 13 8 16 am 14 8 34 1 15 9 10 1 16 9 15 1 17 9 16 1 18 10 11 1 19 10 31 1 20 11 18 1 21 12 13 1 22 12 14 1 23 12 32 1 24 13 17 2 25 14 19 1 26 14 33 1 27 15 17 1 28 17 20 1 29 18 21 1 30 19 23 2 31 19 36 1 32 20 37 1 33 20 38 1 34 20 39 1 35 21 24 ar 36 21 25 ar 37 22 40 1 38 22 41 1 39 22 42 1 40 23 26 1 41 23 43 1 42 24 27 ar 43 24 44 1 44 25 28 ar 45 25 45 1 46 26 29 1 47 26 46 1 48 26 47 1 49 27 30 ar 50 27 48 1 51 28 30 ar 52 28 49 1 53 29 50 1 54 29 51 1 55 29 52 1 56 30 53 1