@MOLECULE (3as,6z,10e,12ar)-3-isopropyl-10,12a-dimethyl-1,3a,4,5,8,9,12,12a-octahydrocyclopenta[11]annulene-6-carboxylic acid 52 53 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.5444 -3.0646 0.3545 O.3 1 UNL11111111 -0.5545 2 O -1.4683 -1.9572 -1.2434 O.2 1 UNL11111111 -0.5134 3 C 1.2466 1.8834 0.4401 C.3 1 UNL11111111 0.0929 4 C 1.1268 0.3166 0.4396 C.3 1 UNL11111111 -0.1555 5 C 2.2964 2.1742 -0.6789 C.3 1 UNL11111111 -0.2988 6 C 2.4076 -0.1407 -0.2256 C.2 1 UNL11111111 -0.0195 7 C -0.1154 2.5554 0.1634 C.3 1 UNL11111111 -0.3020 8 C 0.8368 -0.3042 1.8094 C.3 1 UNL11111111 -0.2656 9 C 3.0238 0.8736 -0.8506 C.2 1 UNL11111111 -0.2098 10 C 1.7998 2.4289 1.7638 C.3 1 UNL11111111 -0.4677 11 C 2.7983 -1.5802 -0.2371 C.3 1 UNL11111111 -0.0733 12 C -0.0965 -1.5269 1.7029 C.3 1 UNL11111111 -0.2661 13 C -0.8128 1.9990 -1.0327 C.2 1 UNL11111111 -0.2096 14 C 2.0693 -2.2769 -1.3967 C.3 1 UNL11111111 -0.4492 15 C 4.3165 -1.7583 -0.3773 C.3 1 UNL11111111 -0.4478 16 C -1.3925 -1.1606 1.0477 C.2 1 UNL11111111 -0.1254 17 C -2.0999 1.6295 -1.0933 C.2 1 UNL11111111 0.0223 18 C -3.0785 1.7384 0.0381 C.3 1 UNL11111111 -0.2714 19 C -3.3523 0.3606 0.6775 C.3 1 UNL11111111 -0.2815 20 C -2.1317 -0.1029 1.3983 C.2 1 UNL11111111 -0.0769 21 C -2.6430 1.0350 -2.3543 C.3 1 UNL11111111 -0.4611 22 C -1.7663 -2.0351 -0.0795 C.2 1 UNL11111111 0.6497 23 H 0.2904 0.0405 -0.2602 H 1 UNL11111111 0.1778 24 H 2.9705 3.0008 -0.4082 H 1 UNL11111111 0.1428 25 H 1.8072 2.4755 -1.6224 H 1 UNL11111111 0.1500 26 H 0.0382 3.6458 0.0218 H 1 UNL11111111 0.1480 27 H -0.7444 2.4588 1.0711 H 1 UNL11111111 0.1418 28 H 0.3670 0.4444 2.4760 H 1 UNL11111111 0.1417 29 H 1.7808 -0.5930 2.3079 H 1 UNL11111111 0.1439 30 H 3.9250 0.8342 -1.4302 H 1 UNL11111111 0.1460 31 H 2.7326 1.9173 2.0313 H 1 UNL11111111 0.1536 32 H 2.0199 3.4994 1.6913 H 1 UNL11111111 0.1432 33 H 1.0993 2.3000 2.5938 H 1 UNL11111111 0.1388 34 H 2.4858 -2.0611 0.7248 H 1 UNL11111111 0.1358 35 H -0.2884 -1.9439 2.7139 H 1 UNL11111111 0.1563 36 H 0.4190 -2.3369 1.1445 H 1 UNL11111111 0.1562 37 H -0.1727 1.8879 -1.9111 H 1 UNL11111111 0.1548 38 H 2.3811 -1.8683 -2.3643 H 1 UNL11111111 0.1500 39 H 0.9818 -2.1343 -1.3292 H 1 UNL11111111 0.1609 40 H 2.2684 -3.3517 -1.4056 H 1 UNL11111111 0.1398 41 H 4.8516 -1.2035 0.4006 H 1 UNL11111111 0.1423 42 H 4.6756 -1.3976 -1.3471 H 1 UNL11111111 0.1465 43 H 4.5980 -2.8128 -0.2935 H 1 UNL11111111 0.1403 44 H -2.7251 2.4494 0.8105 H 1 UNL11111111 0.1439 45 H -4.0331 2.1677 -0.3320 H 1 UNL11111111 0.1464 46 H -3.6788 -0.3544 -0.1047 H 1 UNL11111111 0.1557 47 H -4.2070 0.4360 1.3812 H 1 UNL11111111 0.1496 48 H -1.8356 0.5283 2.2403 H 1 UNL11111111 0.1542 49 H -3.7365 1.0603 -2.4054 H 1 UNL11111111 0.1446 50 H -2.3361 -0.0236 -2.4369 H 1 UNL11111111 0.1782 51 H -2.2635 1.5447 -3.2493 H 1 UNL11111111 0.1536 52 H -2.8014 -3.6940 -0.3627 H 1 UNL11111111 0.3477 @BOND 1 51 21 1 2 50 21 1 3 49 21 1 4 38 14 1 5 21 17 1 6 37 13 1 7 25 5 1 8 30 9 1 9 40 14 1 10 14 39 1 11 14 11 1 12 42 15 1 13 2 22 2 14 17 13 2 15 17 18 1 16 13 7 1 17 9 5 1 18 9 6 2 19 5 24 1 20 5 3 1 21 15 43 1 22 15 11 1 23 15 41 1 24 52 1 1 25 45 18 1 26 23 4 1 27 11 6 1 28 11 34 1 29 6 4 1 30 46 19 1 31 22 1 1 32 22 16 1 33 26 7 1 34 18 19 1 35 18 44 1 36 7 3 1 37 7 27 1 38 4 3 1 39 4 8 1 40 3 10 1 41 19 47 1 42 19 20 1 43 16 20 2 44 16 12 1 45 36 12 1 46 20 48 1 47 32 10 1 48 12 8 1 49 12 35 1 50 10 31 1 51 10 33 1 52 8 29 1 53 8 28 1