@MOLECULE (3s,4s,5s,13as,13bs)-4,5-dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2h-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3h)-dione 46 48 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.6774 1.6268 0.1881 O.3 1 UNL11111111 -0.4110 2 O 0.0994 -1.3142 -0.2417 O.3 1 UNL11111111 -0.4309 3 O 3.1695 0.3271 1.3512 O.3 1 UNL11111111 -0.5861 4 O 3.5327 -1.5097 -0.6573 O.3 1 UNL11111111 -0.5300 5 O 0.4773 0.5014 1.7633 O.2 1 UNL11111111 -0.5503 6 O 1.6312 -2.2066 1.1409 O.2 1 UNL11111111 -0.4731 7 N -3.7114 0.2139 -0.8553 N.3 1 UNL11111111 -0.4287 8 C -2.2770 -0.0248 -0.4819 C.3 1 UNL11111111 0.0058 9 C -1.8985 1.0063 0.6072 C.3 1 UNL11111111 0.1045 10 C -2.9806 2.0884 0.5463 C.3 1 UNL11111111 -0.3333 11 C -4.1970 1.4047 -0.1114 C.3 1 UNL11111111 -0.1104 12 C -2.2061 -1.4520 0.0096 C.2 1 UNL11111111 -0.0733 13 C -4.4483 -1.0525 -0.5508 C.3 1 UNL11111111 -0.1183 14 C -3.4174 -2.0240 -0.0298 C.2 1 UNL11111111 -0.1978 15 C 2.7759 0.6532 0.0371 C.3 1 UNL11111111 0.2875 16 C 1.6892 1.7637 0.1140 C.3 1 UNL11111111 -0.2292 17 C 2.3743 -0.7068 -0.6408 C.3 1 UNL11111111 0.1968 18 C -0.9248 -2.0348 0.4647 C.3 1 UNL11111111 -0.0200 19 C 0.4588 1.2124 0.7832 C.2 1 UNL11111111 0.6086 20 C 4.0537 1.1957 -0.6020 C.3 1 UNL11111111 -0.4602 21 C 1.3640 -1.4913 0.2145 C.2 1 UNL11111111 0.5410 22 C 1.3627 2.4300 -1.2152 C.3 1 UNL11111111 -0.4283 23 C 1.9303 -0.6266 -2.0902 C.3 1 UNL11111111 -0.4572 24 H -1.6599 0.1238 -1.4037 H 1 UNL11111111 0.1807 25 H -1.7836 0.5605 1.6175 H 1 UNL11111111 0.1616 26 H -2.6308 2.9440 -0.0629 H 1 UNL11111111 0.1689 27 H -3.2192 2.4940 1.5407 H 1 UNL11111111 0.1528 28 H -4.9694 1.1604 0.6430 H 1 UNL11111111 0.1261 29 H -4.6739 2.0725 -0.8617 H 1 UNL11111111 0.1502 30 H -4.8834 -1.4020 -1.5153 H 1 UNL11111111 0.1597 31 H -5.2878 -0.9177 0.1568 H 1 UNL11111111 0.1355 32 H -3.6978 -3.0223 0.2443 H 1 UNL11111111 0.1611 33 H 2.1050 2.5496 0.8132 H 1 UNL11111111 0.1929 34 H -0.7727 -1.9024 1.5599 H 1 UNL11111111 0.1710 35 H -0.8112 -3.1066 0.2092 H 1 UNL11111111 0.1539 36 H 4.8727 0.4652 -0.5031 H 1 UNL11111111 0.1788 37 H 4.3894 2.1102 -0.1009 H 1 UNL11111111 0.1585 38 H 3.9298 1.4002 -1.6697 H 1 UNL11111111 0.1541 39 H 0.8659 1.7439 -1.9137 H 1 UNL11111111 0.1629 40 H 2.2572 2.8242 -1.7111 H 1 UNL11111111 0.1526 41 H 0.6724 3.2742 -1.0739 H 1 UNL11111111 0.1596 42 H 2.6080 -0.0053 -2.6882 H 1 UNL11111111 0.1614 43 H 0.9089 -0.2378 -2.1934 H 1 UNL11111111 0.1691 44 H 1.9424 -1.6299 -2.5476 H 1 UNL11111111 0.1757 45 H 2.3953 0.0948 1.9198 H 1 UNL11111111 0.3600 46 H 3.8986 -1.5919 0.2632 H 1 UNL11111111 0.3469 @BOND 1 42 23 1 2 44 23 1 3 43 23 1 4 23 17 1 5 39 22 1 6 40 22 1 7 38 20 1 8 30 13 1 9 24 8 1 10 22 41 1 11 22 16 1 12 29 11 1 13 7 13 1 14 7 8 1 15 7 11 1 16 4 17 1 17 4 46 1 18 17 15 1 19 17 21 1 20 20 36 1 21 20 37 1 22 20 15 1 23 13 14 1 24 13 31 1 25 8 12 1 26 8 9 1 27 2 21 1 28 2 18 1 29 11 10 1 30 11 28 1 31 26 10 1 32 14 12 2 33 14 32 1 34 12 18 1 35 15 16 1 36 15 3 1 37 16 19 1 38 16 33 1 39 1 9 1 40 1 19 1 41 35 18 1 42 21 6 2 43 18 34 1 44 10 9 1 45 10 27 1 46 9 25 1 47 19 5 2 48 3 45 1