@MOLECULE (5s,8s,9r)-8-benzoyl-2-[(1s,2s,3e)-1,2-dihydroxy-3-hexen-1-yl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7886 -0.1190 0.6445 O.2 1 UNL1111111111 -0.3266 2 O 2.9345 -2.2139 -0.4995 O.3 1 UNL1111111111 -0.3887 3 O 0.5884 -3.4051 0.1740 O.3 1 UNL1111111111 -0.4938 4 O -0.5640 -0.3467 -2.4289 O.2 1 UNL1111111111 -0.4438 5 O -2.0640 -3.0729 -0.7719 O.2 1 UNL1111111111 -0.3751 6 O 2.4031 -0.4475 2.0332 O.2 1 UNL1111111111 -0.3957 7 O -1.7216 1.0223 3.0904 O.3 1 UNL1111111111 -0.5087 8 O -0.7610 2.5302 1.0565 O.3 1 UNL1111111111 -0.5529 9 N 1.4159 -0.7545 -1.3527 N.am 1 UNL1111111111 -0.6153 10 C -0.5327 -1.2865 -0.1471 C.3 1 UNL1111111111 -0.0706 11 C 0.6389 -2.0574 0.5049 C.3 1 UNL1111111111 0.0932 12 C 1.9015 -1.3507 -0.1126 C.3 1 UNL1111111111 0.2657 13 C 0.0334 -0.7520 -1.4699 C.2 1 UNL1111111111 0.5640 14 C -1.8713 -2.0466 -0.1965 C.2 1 UNL1111111111 0.4702 15 C -2.1024 -0.1512 1.0691 C.2 1 UNL1111111111 0.2171 16 C -2.7827 -1.2296 0.6277 C.2 1 UNL1111111111 -0.2480 17 C 2.4805 -0.2719 0.8470 C.2 1 UNL1111111111 0.4046 18 C -2.4532 1.0449 1.8943 C.3 1 UNL1111111111 0.0739 19 C -4.1784 -1.6252 0.8573 C.3 1 UNL1111111111 -0.4002 20 C 3.1167 0.9012 0.2210 C.ar 1 UNL1111111111 -0.1351 21 C -2.1619 2.3639 1.1218 C.3 1 UNL1111111111 0.1154 22 C 3.4355 -3.0647 0.5240 C.3 1 UNL1111111111 -0.1881 23 C 2.5730 2.1678 0.4299 C.ar 1 UNL1111111111 -0.1053 24 C 4.2497 0.7317 -0.5741 C.ar 1 UNL1111111111 -0.1213 25 C -2.7522 2.3984 -0.2491 C.2 1 UNL1111111111 -0.2664 26 C 3.1574 3.2728 -0.1862 C.ar 1 UNL1111111111 -0.1453 27 C 4.8359 1.8415 -1.1764 C.ar 1 UNL1111111111 -0.1554 28 C -3.9188 1.8512 -0.5963 C.2 1 UNL1111111111 -0.1063 29 C 4.2851 3.1073 -0.9891 C.ar 1 UNL1111111111 -0.1203 30 C -4.4173 1.8601 -2.0060 C.3 1 UNL1111111111 -0.2642 31 C -3.9637 0.5753 -2.7056 C.3 1 UNL1111111111 -0.4319 32 H 0.6240 -2.0391 1.6176 H 1 UNL1111111111 0.1973 33 H 2.0505 -0.4893 -2.0859 H 1 UNL1111111111 0.3446 34 H -3.5150 0.9966 2.2379 H 1 UNL1111111111 0.1654 35 H 0.6043 -3.5420 -0.8052 H 1 UNL1111111111 0.3366 36 H -4.7813 -1.5331 -0.0623 H 1 UNL1111111111 0.1630 37 H -4.2476 -2.6833 1.1674 H 1 UNL1111111111 0.1705 38 H -4.6700 -1.0303 1.6389 H 1 UNL1111111111 0.1490 39 H -2.4744 3.2420 1.7405 H 1 UNL1111111111 0.1644 40 H 4.3496 -3.4624 0.0639 H 1 UNL1111111111 0.1470 41 H 2.7225 -3.8727 0.7293 H 1 UNL1111111111 0.1563 42 H 3.6728 -2.5150 1.4400 H 1 UNL1111111111 0.1396 43 H -0.7902 1.3203 2.9212 H 1 UNL1111111111 0.3407 44 H 1.7054 2.2991 1.0789 H 1 UNL1111111111 0.1673 45 H 4.6694 -0.2641 -0.7240 H 1 UNL1111111111 0.1633 46 H -2.1262 2.9228 -0.9762 H 1 UNL1111111111 0.1757 47 H -0.3605 1.8539 0.4672 H 1 UNL1111111111 0.3297 48 H 2.7314 4.2642 -0.0379 H 1 UNL1111111111 0.1583 49 H 5.7228 1.7187 -1.7953 H 1 UNL1111111111 0.1543 50 H -4.5588 1.3281 0.1120 H 1 UNL1111111111 0.1386 51 H 4.7387 3.9720 -1.4709 H 1 UNL1111111111 0.1508 52 H -5.5223 1.9413 -2.0312 H 1 UNL1111111111 0.1389 53 H -4.0456 2.7425 -2.5642 H 1 UNL1111111111 0.1459 54 H -4.3350 0.5274 -3.7341 H 1 UNL1111111111 0.1431 55 H -4.3152 -0.3195 -2.1807 H 1 UNL1111111111 0.1442 56 H -2.8655 0.5105 -2.7527 H 1 UNL1111111111 0.1701 @BOND 1 1 10 1 2 1 15 1 3 2 12 1 4 2 22 1 5 3 11 1 6 3 35 1 7 4 13 2 8 5 14 2 9 6 17 2 10 7 18 1 11 7 43 1 12 8 21 1 13 8 47 1 14 9 12 1 15 9 13 am 16 9 33 1 17 10 11 1 18 10 13 1 19 10 14 1 20 11 12 1 21 11 32 1 22 12 17 1 23 14 16 1 24 15 16 2 25 15 18 1 26 16 19 1 27 17 20 1 28 18 21 1 29 18 34 1 30 19 36 1 31 19 37 1 32 19 38 1 33 20 23 ar 34 20 24 ar 35 21 25 1 36 21 39 1 37 22 40 1 38 22 41 1 39 22 42 1 40 23 26 ar 41 23 44 1 42 24 27 ar 43 24 45 1 44 25 28 2 45 25 46 1 46 26 29 ar 47 26 48 1 48 27 29 ar 49 27 49 1 50 28 30 1 51 28 50 1 52 29 51 1 53 30 31 1 54 30 52 1 55 30 53 1 56 31 54 1 57 31 55 1 58 31 56 1