@MOLECULE (5's,13'r,17's)-10',17'-dihydroxy-4'-methyl-1,3-dihydro-14'h-spiro[indene-2,15'-[12]oxa[4]azapentacyclo[9.6.1.0~1,13~.0~5,17~.0~7,18~]octadeca[7(18),8,10]trien]-14'-one 55 61 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.6238 -2.1919 -0.7202 O.3 1 UNL11111111 -0.2755 2 O -0.2564 0.3714 1.8419 O.3 1 UNL11111111 -0.5658 3 O 1.0645 -1.8945 -2.0815 O.2 1 UNL11111111 -0.4016 4 O -4.4164 -3.2637 -0.0112 O.3 1 UNL11111111 -0.4513 5 N -1.1499 2.9252 -0.6370 N.3 1 UNL11111111 -0.4271 6 C -1.0603 0.0869 -0.3613 C.3 1 UNL11111111 -0.0231 7 C -0.2829 0.9967 0.5738 C.3 1 UNL11111111 0.2764 8 C -1.1564 2.2926 0.6980 C.3 1 UNL11111111 0.0073 9 C -0.4933 -1.3503 -0.3190 C.3 1 UNL11111111 -0.0382 10 C 1.7568 -0.2645 -0.4283 C.3 1 UNL11111111 -0.0158 11 C 1.1480 1.0954 0.0208 C.3 1 UNL11111111 -0.3416 12 C -1.1511 0.7151 -1.7634 C.3 1 UNL11111111 -0.2859 13 C -2.4250 -0.1918 0.1356 C.ar 1 UNL11111111 -0.0829 14 C 0.7868 -1.2695 -1.0986 C.2 1 UNL11111111 0.4255 15 C -2.5808 1.9685 1.2923 C.3 1 UNL11111111 -0.3082 16 C -1.8205 2.0991 -1.6721 C.3 1 UNL11111111 -0.1070 17 C -3.2018 0.6691 0.8706 C.ar 1 UNL11111111 0.0010 18 C 2.3722 -0.9995 0.8080 C.3 1 UNL11111111 -0.2917 19 C 2.9636 0.0283 -1.3674 C.3 1 UNL11111111 -0.2952 20 C -2.7169 -1.5286 -0.1590 C.ar 1 UNL11111111 0.0460 21 C 3.8272 -0.6591 0.7578 C.ar 1 UNL11111111 -0.0130 22 C 4.1629 -0.0782 -0.4803 C.ar 1 UNL11111111 -0.0034 23 C -1.7180 4.2879 -0.6100 C.3 1 UNL11111111 -0.2736 24 C -4.4655 0.1725 1.2329 C.ar 1 UNL11111111 -0.1653 25 C -3.9641 -2.0043 0.2134 C.ar 1 UNL11111111 0.2025 26 C -4.8384 -1.1264 0.8880 C.ar 1 UNL11111111 -0.1868 27 C 4.7890 -0.8561 1.7306 C.ar 1 UNL11111111 -0.1713 28 C 5.4630 0.3072 -0.7517 C.ar 1 UNL11111111 -0.1766 29 C 6.1058 -0.4637 1.4580 C.ar 1 UNL11111111 -0.1555 30 C 6.4376 0.1092 0.2344 C.ar 1 UNL11111111 -0.1492 31 H -0.6539 2.9992 1.4037 H 1 UNL11111111 0.1349 32 H -0.2728 -1.6855 0.7296 H 1 UNL11111111 0.1868 33 H 1.8230 1.5552 0.7667 H 1 UNL11111111 0.1592 34 H 1.1423 1.8140 -0.8288 H 1 UNL11111111 0.1847 35 H -1.7384 0.0552 -2.4332 H 1 UNL11111111 0.1648 36 H -0.1525 0.8059 -2.2302 H 1 UNL11111111 0.1591 37 H -3.2582 2.8117 1.0609 H 1 UNL11111111 0.1499 38 H -2.4802 1.9478 2.3995 H 1 UNL11111111 0.1613 39 H -1.7162 2.6265 -2.6456 H 1 UNL11111111 0.1409 40 H -2.9091 1.9785 -1.4794 H 1 UNL11111111 0.1298 41 H 2.2355 -2.0979 0.7421 H 1 UNL11111111 0.1620 42 H 1.8848 -0.6913 1.7487 H 1 UNL11111111 0.1694 43 H 2.8844 1.0091 -1.8638 H 1 UNL11111111 0.1561 44 H 3.0227 -0.7174 -2.1903 H 1 UNL11111111 0.1841 45 H 0.2338 0.9151 2.4875 H 1 UNL11111111 0.3204 46 H -2.7987 4.3317 -0.4069 H 1 UNL11111111 0.1216 47 H -1.5305 4.7661 -1.5871 H 1 UNL11111111 0.1487 48 H -1.1939 4.8907 0.1492 H 1 UNL11111111 0.1435 49 H -5.1522 0.7967 1.7989 H 1 UNL11111111 0.1560 50 H -5.8216 -1.5055 1.1680 H 1 UNL11111111 0.1745 51 H 4.5372 -1.3062 2.6864 H 1 UNL11111111 0.1531 52 H 5.7285 0.7523 -1.7052 H 1 UNL11111111 0.1534 53 H 6.8752 -0.6117 2.2129 H 1 UNL11111111 0.1490 54 H 7.4653 0.4070 0.0368 H 1 UNL11111111 0.1489 55 H -3.7102 -3.8177 -0.4354 H 1 UNL11111111 0.3349 @BOND 1 39 16 1 2 35 12 1 3 36 12 1 4 44 19 1 5 3 14 2 6 43 19 1 7 12 16 1 8 12 6 1 9 52 28 1 10 16 40 1 11 16 5 1 12 47 23 1 13 19 22 1 14 19 10 1 15 14 10 1 16 14 9 1 17 34 11 1 18 28 22 ar 19 28 30 ar 20 1 9 1 21 1 20 1 22 5 23 1 23 5 8 1 24 23 46 1 25 23 48 1 26 22 21 ar 27 55 4 1 28 10 11 1 29 10 18 1 30 6 9 1 31 6 13 1 32 6 7 1 33 9 32 1 34 20 13 ar 35 20 25 ar 36 4 25 1 37 11 7 1 38 11 33 1 39 54 30 1 40 13 17 ar 41 25 26 ar 42 30 29 ar 43 7 8 1 44 7 2 1 45 8 15 1 46 8 31 1 47 41 18 1 48 21 18 1 49 21 27 ar 50 18 42 1 51 17 24 ar 52 17 15 1 53 26 50 1 54 26 24 ar 55 37 15 1 56 24 49 1 57 15 38 1 58 29 27 ar 59 29 53 1 60 27 51 1 61 2 45 1