@MOLECULE (4s,5s,6r)-5-methoxy-4-[(2s)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]octan-6-ol 46 48 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.1447 -1.7098 -0.9245 O.3 1 UNL11111111 -0.3755 2 O -0.7180 2.5112 0.5095 O.3 1 UNL11111111 -0.3323 3 O -3.1399 0.2905 1.0761 O.3 1 UNL11111111 -0.3895 4 O -3.9869 -1.0199 -1.1234 O.3 1 UNL11111111 -0.5541 5 C -0.7812 0.0443 0.5998 C.3 1 UNL11111111 -0.2201 6 C -0.5599 1.2949 -0.2316 C.3 1 UNL11111111 0.1731 7 C 0.2493 -1.0412 0.3383 C.3 1 UNL11111111 0.1500 8 C 1.3014 -0.8928 -0.7209 C.3 1 UNL11111111 0.0209 9 C -2.1983 -0.5459 0.4202 C.3 1 UNL11111111 0.0535 10 C 0.6076 2.1724 0.0980 C.3 1 UNL11111111 -0.1889 11 C -1.1278 1.3314 -1.6303 C.3 1 UNL11111111 -0.2889 12 C -2.6672 -0.5357 -1.0540 C.3 1 UNL11111111 0.1397 13 C -2.5878 0.8792 -1.6322 C.3 1 UNL11111111 -0.3149 14 C 0.4682 -1.9638 1.5091 C.3 1 UNL11111111 -0.4699 15 C 2.6276 -1.6128 -0.6630 C.3 1 UNL11111111 -0.2888 16 C 3.7404 -0.6352 -0.8661 C.2 1 UNL11111111 -0.2436 17 C -3.3330 -0.0099 2.4439 C.3 1 UNL11111111 -0.1994 18 C 4.2256 0.1592 0.0977 C.2 1 UNL11111111 0.0705 19 C 5.3302 1.1267 -0.1749 C.3 1 UNL11111111 -0.4590 20 C 3.7206 0.1455 1.5026 C.3 1 UNL11111111 -0.4594 21 H -0.6939 0.3583 1.6797 H 1 UNL11111111 0.1789 22 H 1.3168 0.0078 -1.3475 H 1 UNL11111111 0.1585 23 H -2.2523 -1.5803 0.8243 H 1 UNL11111111 0.1349 24 H 1.2930 1.9219 0.9016 H 1 UNL11111111 0.1474 25 H 1.0443 2.8302 -0.6474 H 1 UNL11111111 0.1519 26 H -0.5267 0.6790 -2.2978 H 1 UNL11111111 0.1577 27 H -1.0534 2.3570 -2.0473 H 1 UNL11111111 0.1587 28 H -2.0930 -1.2755 -1.6594 H 1 UNL11111111 0.1629 29 H -3.2086 1.5744 -1.0316 H 1 UNL11111111 0.1647 30 H -3.0093 0.8955 -2.6539 H 1 UNL11111111 0.1547 31 H -0.4591 -2.1566 2.0644 H 1 UNL11111111 0.1592 32 H 0.8376 -2.9470 1.1786 H 1 UNL11111111 0.1711 33 H 1.1991 -1.5502 2.2149 H 1 UNL11111111 0.1554 34 H 2.7568 -2.1647 0.2901 H 1 UNL11111111 0.1546 35 H 2.6439 -2.4007 -1.4488 H 1 UNL11111111 0.1626 36 H -4.5644 -0.5169 -0.5089 H 1 UNL11111111 0.3267 37 H 4.1349 -0.6004 -1.8785 H 1 UNL11111111 0.1495 38 H -3.7494 -1.0143 2.5692 H 1 UNL11111111 0.1238 39 H -4.0607 0.7506 2.7585 H 1 UNL11111111 0.1500 40 H -2.4061 0.1056 3.0130 H 1 UNL11111111 0.1197 41 H 4.9925 2.1636 -0.0328 H 1 UNL11111111 0.1586 42 H 6.1790 0.9640 0.5042 H 1 UNL11111111 0.1543 43 H 5.7200 1.0526 -1.1985 H 1 UNL11111111 0.1519 44 H 2.6214 0.1209 1.5392 H 1 UNL11111111 0.1599 45 H 4.0840 -0.7438 2.0385 H 1 UNL11111111 0.1565 46 H 4.0440 1.0222 2.0778 H 1 UNL11111111 0.1524 @BOND 1 30 13 1 2 26 11 1 3 27 11 1 4 37 16 1 5 28 12 1 6 13 11 1 7 13 12 1 8 13 29 1 9 11 6 1 10 35 15 1 11 22 8 1 12 43 19 1 13 4 12 1 14 4 36 1 15 12 9 1 16 1 8 1 17 1 7 1 18 16 15 1 19 16 18 2 20 8 15 1 21 8 7 1 22 15 34 1 23 25 10 1 24 6 10 1 25 6 2 1 26 6 5 1 27 19 41 1 28 19 18 1 29 19 42 1 30 18 20 1 31 10 2 1 32 10 24 1 33 7 5 1 34 7 14 1 35 9 5 1 36 9 23 1 37 9 3 1 38 5 21 1 39 3 17 1 40 32 14 1 41 20 44 1 42 20 45 1 43 20 46 1 44 14 31 1 45 14 33 1 46 17 38 1 47 17 39 1 48 17 40 1