@MOLECULE (1ar,4r,7s,7ar,7br)-1a-(3-hydroxy-1-propen-2-yl)-7,7a-dimethyl-2-oxo-1a,2,4,5,6,7,7a,7b-octahydronaphtho[1,2-b]oxiren-4-yl 2,7-dihydroxy-2-(hydroxymethyl)-4,6-dimethyloctanoate 34 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -7.7606 -1.8736 0.1993 C.1 1 UNL1 -0.6401 2 C -8.7408 -2.6862 0.3654 C.1 1 UNL1 0.6232 3 C -6.7810 -1.0744 0.0393 C.1 1 UNL1 0.5415 4 C -4.5304 3.2853 -0.8270 C.3 1 UNL1 0.3883 5 C -5.8090 -0.2639 -0.1198 C.1 1 UNL1 -0.5195 6 C -4.5550 1.8879 -0.5427 C.2 1 UNL1 -0.4429 7 C -3.3080 2.4756 -0.6245 C.3 1 UNL1 -0.0664 8 C -4.7859 0.5332 -0.2702 C.2 1 UNL1 0.4949 9 C -2.1292 1.7622 -0.4439 C.2 1 UNL1 -0.3286 10 C -0.8328 2.4183 -0.5059 C.2 1 UNL1 0.6577 11 C -2.3424 0.4010 -0.1907 C.2 1 UNL1 0.4636 12 O 0.1967 1.4570 -0.4156 O.3 1 UNL1 -0.5213 13 O -0.5612 3.5663 -0.6631 O.2 1 UNL1 -0.3626 14 C 1.3787 1.7517 0.1812 C.2 1 UNL1 0.6523 15 C -1.2790 -0.4898 -0.0140 C.1 1 UNL1 -0.1833 16 C -0.2222 -1.0893 0.0792 C.1 1 UNL1 0.1491 17 C 1.0707 -1.5726 0.1126 C.3 1 UNL1 -0.0324 18 C 2.4007 0.7117 -0.1191 C.3 1 UNL1 -0.1827 19 C 2.2611 -0.6319 -0.0627 C.2 1 UNL1 0.0494 20 C 4.8677 0.5555 -0.0752 C.2 1 UNL1 0.3094 21 C 3.6561 1.1602 -0.6013 C.3 1 UNL1 0.1881 22 C 1.6808 -2.7706 0.2166 C.2 1 UNL1 0.0305 23 C 2.9848 -2.7351 0.0758 C.2 1 UNL1 0.0212 24 O 5.7982 1.0931 0.4585 O.2 1 UNL1 -0.3253 25 C 4.8332 -0.9569 -0.3544 C.3 1 UNL1 0.1426 26 C 3.5374 -1.5361 -0.1424 C.2 1 UNL1 -0.0414 27 O 3.8087 0.3252 2.3600 O.2 1 UNL1 -0.5117 28 C 5.9064 -1.5796 -0.7535 C.1 1 UNL1 -0.4461 29 C 4.0408 0.6535 3.4313 C.2 1 UNL1 0.5126 30 C 6.9973 -2.1402 -1.1436 C.1 1 UNL1 0.5285 31 O 7.9725 -2.6615 -1.4970 O.3 1 UNL1 -0.2214 32 O -3.5404 -0.1824 -0.1047 O.2 1 UNL1 -0.2662 33 O 1.5490 2.6810 0.9139 O.2 1 UNL1 -0.3998 34 O -9.6228 -3.4228 0.5171 O.3 1 UNL1 -0.2615 @BOND 1 31 30 1 2 30 28 3 3 4 7 1 4 4 6 1 5 28 25 1 6 13 10 2 7 7 6 1 8 7 9 1 9 21 18 1 10 21 20 1 11 6 8 2 12 10 9 1 13 10 12 1 14 9 11 2 15 12 14 1 16 25 26 1 17 25 20 1 18 8 5 1 19 8 32 1 20 11 32 1 21 11 15 1 22 26 19 2 23 26 23 1 24 5 3 3 25 18 19 1 26 18 14 1 27 20 24 2 28 19 17 1 29 15 16 3 30 3 1 1 31 23 22 2 32 16 17 1 33 17 22 1 34 14 33 2 35 1 2 3 36 2 34 1 37 27 29 2