@MOLECULE (3r,4r,5r,13ar,13br)-4,5-dihydroxy-3-isopropyl-4,5-dimethyl-4,5,8,10,12,13,13a,13b-octahydro-2h-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3h)-dione 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8031 0.3984 -0.4022 O.3 1 UNL1111111111 -0.4393 2 O -0.2320 -2.2885 -0.3684 O.3 1 UNL1111111111 -0.4035 3 O 3.1848 -0.1381 1.1712 O.3 1 UNL1111111111 -0.5406 4 O 3.0198 -2.2324 -0.2160 O.3 1 UNL1111111111 -0.5022 5 O 0.4007 1.5343 -1.9244 O.2 1 UNL1111111111 -0.5177 6 O 0.7845 -1.7872 1.5784 O.2 1 UNL1111111111 -0.5046 7 N -3.8700 0.2592 0.1689 N.3 1 UNL1111111111 -0.4281 8 C -2.8995 -0.6592 -0.5180 C.3 1 UNL1111111111 0.0154 9 C -1.8983 0.2332 -1.2999 C.3 1 UNL1111111111 0.1176 10 C -2.6255 1.5666 -1.5026 C.3 1 UNL1111111111 -0.3463 11 C -3.7371 1.6085 -0.4318 C.3 1 UNL1111111111 -0.1064 12 C -2.2664 -1.4658 0.5932 C.2 1 UNL1111111111 -0.0910 13 C 1.3056 1.0251 0.2954 C.3 1 UNL1111111111 -0.2914 14 C 2.4789 0.0505 -0.0295 C.3 1 UNL1111111111 0.3367 15 C -3.5590 0.1952 1.6327 C.3 1 UNL1111111111 -0.1230 16 C -2.6190 -0.9735 1.7898 C.2 1 UNL1111111111 -0.1361 17 C 1.9537 -1.3600 -0.5246 C.3 1 UNL1111111111 0.1627 18 C 1.7486 2.4846 0.5680 C.3 1 UNL1111111111 -0.0258 19 C 0.3049 1.0512 -0.8256 C.2 1 UNL1111111111 0.5985 20 C -1.4282 -2.6574 0.3253 C.3 1 UNL1111111111 -0.0172 21 C 3.4959 0.6170 -1.0099 C.3 1 UNL1111111111 -0.4709 22 C 0.7880 -1.8092 0.3748 C.2 1 UNL1111111111 0.5440 23 C 1.6192 -1.4588 -2.0021 C.3 1 UNL1111111111 -0.4947 24 C 0.5072 3.3597 0.8017 C.3 1 UNL1111111111 -0.4674 25 C 2.6574 2.5602 1.7961 C.3 1 UNL1111111111 -0.4497 26 H -3.4809 -1.2950 -1.2252 H 1 UNL1111111111 0.1559 27 H -1.5245 -0.2242 -2.2334 H 1 UNL1111111111 0.1391 28 H -3.0490 1.6301 -2.5194 H 1 UNL1111111111 0.1554 29 H -1.9320 2.4200 -1.4128 H 1 UNL1111111111 0.1679 30 H -3.5377 2.3918 0.3232 H 1 UNL1111111111 0.1292 31 H -4.7224 1.8460 -0.8899 H 1 UNL1111111111 0.1466 32 H 0.8132 0.6481 1.2369 H 1 UNL1111111111 0.1983 33 H -4.5230 0.0242 2.1597 H 1 UNL1111111111 0.1551 34 H -3.1160 1.1266 2.0369 H 1 UNL1111111111 0.1396 35 H -2.3206 -1.3135 2.7646 H 1 UNL1111111111 0.1627 36 H 2.2958 2.8694 -0.3270 H 1 UNL1111111111 0.1456 37 H -1.1664 -3.2109 1.2502 H 1 UNL1111111111 0.1550 38 H -1.8995 -3.3526 -0.4006 H 1 UNL1111111111 0.1500 39 H 4.2147 -0.1566 -1.3153 H 1 UNL1111111111 0.1695 40 H 3.0140 1.0351 -1.9023 H 1 UNL1111111111 0.1664 41 H 4.0885 1.4137 -0.5370 H 1 UNL1111111111 0.1696 42 H 1.2927 -2.4715 -2.2774 H 1 UNL1111111111 0.1637 43 H 0.8070 -0.7875 -2.3102 H 1 UNL1111111111 0.1806 44 H 2.4911 -1.2131 -2.6250 H 1 UNL1111111111 0.1727 45 H -0.1245 2.9604 1.6022 H 1 UNL1111111111 0.1476 46 H 0.7955 4.3771 1.0899 H 1 UNL1111111111 0.1506 47 H -0.1064 3.4476 -0.1016 H 1 UNL1111111111 0.1446 48 H 2.1777 2.1286 2.6819 H 1 UNL1111111111 0.1504 49 H 2.9263 3.5945 2.0301 H 1 UNL1111111111 0.1366 50 H 3.5926 2.0025 1.6442 H 1 UNL1111111111 0.1689 51 H 2.7325 -0.7976 1.7501 H 1 UNL1111111111 0.3443 52 H 2.9045 -3.0965 -0.6687 H 1 UNL1111111111 0.3151 @BOND 1 1 9 1 2 1 19 1 3 2 20 1 4 2 22 1 5 3 14 1 6 3 51 1 7 4 17 1 8 4 52 1 9 5 19 2 10 6 22 2 11 7 8 1 12 7 11 1 13 7 15 1 14 8 9 1 15 8 12 1 16 8 26 1 17 9 10 1 18 9 27 1 19 10 11 1 20 10 28 1 21 10 29 1 22 11 30 1 23 11 31 1 24 12 16 2 25 12 20 1 26 13 14 1 27 13 18 1 28 13 19 1 29 13 32 1 30 14 17 1 31 14 21 1 32 15 16 1 33 15 33 1 34 15 34 1 35 16 35 1 36 17 22 1 37 17 23 1 38 18 24 1 39 18 25 1 40 18 36 1 41 20 37 1 42 20 38 1 43 21 39 1 44 21 40 1 45 21 41 1 46 23 42 1 47 23 43 1 48 23 44 1 49 24 45 1 50 24 46 1 51 24 47 1 52 25 48 1 53 25 49 1 54 25 50 1