@MOLECULE (8xi,9xi,14xi,20xi,22r,24xi)-17-hydroxy-25-methyl-22,26-epoxy-21,24-cycloergosta-2,4,6-triene-1,26-dione 33 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.1357 -2.1877 -0.2567 O.3 1 UNL1 -0.3184 2 O -5.3625 -1.3826 0.1380 O.3 1 UNL1 -0.3648 3 O -4.8967 -3.5451 -0.0767 O.2 1 UNL1 -0.3003 4 O 4.6952 2.0318 2.7083 O.2 1 UNL1 -0.3989 5 C 5.8321 -3.0607 1.0559 C.1 1 UNL1 -0.7288 6 C -2.6081 -0.8880 -0.2728 C.2 1 UNL1 0.3329 7 C 1.1920 -0.5186 -0.8382 C.3 1 UNL1 -0.0801 8 C -3.5457 0.1578 -0.0457 C.2 1 UNL1 -0.4747 9 C -1.3132 -0.8294 -0.4932 C.1 1 UNL1 -0.1433 10 C 2.4757 -0.2768 -0.9480 C.2 1 UNL1 0.0174 11 C -0.0610 -0.7036 -0.6805 C.1 1 UNL1 0.1001 12 C -4.7125 2.1419 0.2753 C.2 1 UNL1 -0.7256 13 C 5.0165 -2.1062 0.7892 C.1 1 UNL1 0.4685 14 C -3.3373 1.5970 0.0329 C.3 1 UNL1 0.2875 15 C -4.8673 -0.1512 0.1475 C.3 1 UNL1 0.3831 16 C 3.3712 -0.1769 0.2686 C.3 1 UNL1 0.3305 17 C -5.6955 1.0460 0.4031 C.3 1 UNL1 -0.1260 18 C 4.2089 -1.1575 0.5267 C.1 1 UNL1 -0.4517 19 C 6.6497 -4.0125 1.3293 C.1 1 UNL1 0.4301 20 C -7.1095 1.1228 -0.0495 C.2 1 UNL1 -0.8841 21 C 3.2932 1.0174 1.0993 C.2 1 UNL1 -0.6993 22 C 3.2290 -0.0058 -2.1008 C.1 1 UNL1 -0.0092 23 C -4.7407 3.4587 0.3223 C.2 1 UNL1 0.5384 24 C -4.4471 -2.4443 -0.0725 C.2 1 UNL1 0.6805 25 C 5.3021 1.1227 -2.7434 C.2 1 UNL1 0.0522 26 C -7.9850 1.1448 -1.0187 C.2 1 UNL1 0.6053 27 C -6.8840 1.0637 1.3673 C.3 1 UNL1 0.5083 28 C 4.1445 0.4156 -2.8010 C.2 1 UNL1 -0.0342 29 C 2.1284 1.4815 1.5499 C.2 1 UNL1 0.5748 30 C 4.5538 1.6904 1.5621 C.2 1 UNL1 0.5796 31 C 6.0024 1.7090 -1.9143 C.2 1 UNL1 -0.0482 32 C 5.4649 1.9250 0.4911 C.1 1 UNL1 -0.1839 33 C 6.0314 2.0088 -0.5896 C.2 1 UNL1 0.0823 @BOND 1 28 25 1 2 28 22 2 3 25 31 2 4 22 10 2 5 31 33 1 6 26 20 2 7 10 7 1 8 10 16 1 9 7 11 1 10 11 9 3 11 33 32 2 12 9 6 1 13 6 1 1 14 6 8 2 15 1 24 1 16 3 24 2 17 24 2 1 18 20 17 1 19 20 27 1 20 8 14 1 21 8 15 1 22 14 12 1 23 2 15 1 24 15 17 1 25 16 18 1 26 16 21 1 27 12 23 2 28 12 17 1 29 17 27 1 30 32 30 2 31 18 13 3 32 13 5 1 33 5 19 3 34 21 29 2 35 21 30 1 36 30 4 1