@MOLECULE (3r,4s,5r,13ar,13br)-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 -0.6799 -0.7423 0.2251 O.3 1 UNL111111111 -0.4733 2 O 0.5336 1.5691 0.9981 O.3 1 UNL111111111 -0.4244 3 O 1.7902 -0.7342 1.5400 O.3 1 UNL111111111 -0.5693 4 O 3.0516 0.8333 -1.4267 O.3 1 UNL111111111 -0.5417 5 O -0.1607 -2.9301 0.3160 O.2 1 UNL111111111 -0.4871 6 O 0.7994 2.2917 -1.1213 O.2 1 UNL111111111 -0.5092 7 N -3.7920 0.3275 -0.0755 N.3 1 UNL111111111 -0.4196 8 C -2.6354 0.4295 0.8778 C.3 1 UNL111111111 0.0118 9 C -1.9182 -0.9561 0.8942 C.3 1 UNL111111111 0.1194 10 C -2.8201 -1.9166 0.1044 C.3 1 UNL111111111 -0.3507 11 C -4.0823 -1.1102 -0.2591 C.3 1 UNL111111111 -0.1130 12 C -1.7879 1.5532 0.3257 C.2 1 UNL111111111 -0.1091 13 C -3.3753 1.0427 -1.3254 C.3 1 UNL111111111 -0.1308 14 C -2.1850 1.8710 -0.9165 C.2 1 UNL111111111 -0.1113 15 C 2.3236 -0.6514 0.2409 C.3 1 UNL111111111 0.3332 16 C 1.3385 -1.3153 -0.7697 C.3 1 UNL111111111 -0.2308 17 C 2.5065 0.8671 -0.1311 C.3 1 UNL111111111 0.1828 18 C -0.7347 2.2221 1.1192 C.3 1 UNL111111111 0.0002 19 C 0.1291 -1.8131 -0.0116 C.2 1 UNL111111111 0.6144 20 C 3.6769 -1.3425 0.3484 C.3 1 UNL111111111 -0.4551 21 C 1.1789 1.6405 -0.1831 C.2 1 UNL111111111 0.5470 22 C 1.9208 -2.4843 -1.5576 C.3 1 UNL111111111 -0.4180 23 C 3.4376 1.6133 0.8131 C.3 1 UNL111111111 -0.4845 24 H -3.0485 0.6605 1.8857 H 1 UNL111111111 0.1549 25 H -1.6868 -1.3128 1.9154 H 1 UNL111111111 0.1376 26 H -3.0579 -2.8208 0.6876 H 1 UNL111111111 0.1621 27 H -2.3069 -2.2806 -0.8036 H 1 UNL111111111 0.1652 28 H -4.4409 -1.3318 -1.2802 H 1 UNL111111111 0.1358 29 H -4.9206 -1.3541 0.4320 H 1 UNL111111111 0.1481 30 H -4.2336 1.6739 -1.6415 H 1 UNL111111111 0.1560 31 H -3.1272 0.3650 -2.1663 H 1 UNL111111111 0.1410 32 H -1.7638 2.6079 -1.5786 H 1 UNL111111111 0.1691 33 H 1.0039 -0.5404 -1.5140 H 1 UNL111111111 0.1853 34 H -0.6052 3.2862 0.8337 H 1 UNL111111111 0.1481 35 H -0.9014 2.1483 2.2146 H 1 UNL111111111 0.1529 36 H 4.2569 -0.9383 1.1894 H 1 UNL111111111 0.1618 37 H 3.5578 -2.4156 0.5502 H 1 UNL111111111 0.1665 38 H 4.2644 -1.2143 -0.5692 H 1 UNL111111111 0.1674 39 H 2.1801 -3.3296 -0.9048 H 1 UNL111111111 0.1638 40 H 1.1988 -2.8641 -2.2928 H 1 UNL111111111 0.1509 41 H 2.8212 -2.1825 -2.1079 H 1 UNL111111111 0.1589 42 H 4.4809 1.3059 0.6511 H 1 UNL111111111 0.1733 43 H 3.4005 2.6988 0.6693 H 1 UNL111111111 0.1549 44 H 3.1863 1.4004 1.8638 H 1 UNL111111111 0.1802 45 H 0.9996 -0.1561 1.6414 H 1 UNL111111111 0.3439 46 H 2.8360 1.6526 -1.9311 H 1 UNL111111111 0.3413 @BOND 1 40 22 1 2 31 13 1 3 41 22 1 4 46 4 1 5 30 13 1 6 32 14 1 7 22 39 1 8 22 16 1 9 33 16 1 10 4 17 1 11 13 14 1 12 13 7 1 13 28 11 1 14 6 21 2 15 14 12 2 16 27 10 1 17 16 19 1 18 16 15 1 19 38 20 1 20 11 7 1 21 11 10 1 22 11 29 1 23 21 17 1 24 21 2 1 25 17 15 1 26 17 23 1 27 7 8 1 28 19 1 1 29 19 5 2 30 10 26 1 31 10 9 1 32 1 9 1 33 15 20 1 34 15 3 1 35 12 8 1 36 12 18 1 37 20 37 1 38 20 36 1 39 42 23 1 40 43 23 1 41 23 44 1 42 34 18 1 43 8 9 1 44 8 24 1 45 9 25 1 46 2 18 1 47 18 35 1 48 3 45 1