@MOLECULE 8-hydroxy-7-isopropyl-6-methoxy-1,4a-dimethyl-3,4,4a,9,10,10a-hexahydro-2-phenanthrenecarboxylic acid 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6715 -1.2578 2.4810 O.3 1 UNL1111111111 -0.4701 2 O 3.4740 0.3451 -1.4789 O.3 1 UNL1111111111 -0.2947 3 O -2.7160 -2.4911 -1.8843 O.3 1 UNL1111111111 -0.5556 4 O -4.2798 -2.2886 -0.3245 O.2 1 UNL1111111111 -0.5399 5 C -1.0687 1.8382 -0.2645 C.3 1 UNL1111111111 0.0699 6 C -2.2347 1.5311 0.7182 C.3 1 UNL1111111111 -0.1434 7 C -1.5486 1.4756 -1.6873 C.3 1 UNL1111111111 -0.2856 8 C -1.6749 1.4871 2.1504 C.3 1 UNL1111111111 -0.2624 9 C 0.1945 1.0644 0.0624 C.ar 1 UNL1111111111 0.1060 10 C -2.9722 0.2534 0.4043 C.2 1 UNL1111111111 0.1346 11 C -0.7157 0.3018 2.2974 C.3 1 UNL1111111111 -0.2459 12 C 0.3307 0.3178 1.2304 C.ar 1 UNL1111111111 -0.2141 13 C -1.7887 -0.0331 -1.7794 C.3 1 UNL1111111111 -0.2405 14 C -0.7410 3.3408 -0.2061 C.3 1 UNL1111111111 -0.4620 15 C -2.7217 -0.4765 -0.7011 C.2 1 UNL1111111111 -0.2079 16 C 1.2480 1.1055 -0.8596 C.ar 1 UNL1111111111 -0.3845 17 C 1.4980 -0.4496 1.4001 C.ar 1 UNL1111111111 0.2918 18 C -4.0238 -0.1490 1.3788 C.3 1 UNL1111111111 -0.4784 19 C 2.5601 -0.4537 0.4951 C.ar 1 UNL1111111111 -0.1980 20 C 2.4056 0.3634 -0.6386 C.ar 1 UNL1111111111 0.2775 21 C -3.3472 -1.7838 -0.9029 C.2 1 UNL1111111111 0.6541 22 C 3.7762 -1.2986 0.7397 C.3 1 UNL1111111111 -0.0222 23 C 5.0270 -0.4177 0.8720 C.3 1 UNL1111111111 -0.4511 24 C 3.9472 -2.3305 -0.3848 C.3 1 UNL1111111111 -0.4499 25 C 3.3640 1.0807 -2.6894 C.3 1 UNL1111111111 -0.2125 26 H -2.9783 2.3672 0.6431 H 1 UNL1111111111 0.1513 27 H -0.8139 1.7945 -2.4470 H 1 UNL1111111111 0.1419 28 H -2.4788 2.0262 -1.9204 H 1 UNL1111111111 0.1416 29 H -2.4877 1.4209 2.8954 H 1 UNL1111111111 0.1375 30 H -1.1437 2.4332 2.3723 H 1 UNL1111111111 0.1462 31 H -1.2896 -0.6499 2.2465 H 1 UNL1111111111 0.1506 32 H -0.2497 0.3405 3.3050 H 1 UNL1111111111 0.1369 33 H -0.8260 -0.5884 -1.6988 H 1 UNL1111111111 0.1717 34 H -2.1898 -0.2960 -2.7807 H 1 UNL1111111111 0.1564 35 H -1.6189 3.9559 -0.4233 H 1 UNL1111111111 0.1436 36 H -0.3632 3.6280 0.7821 H 1 UNL1111111111 0.1527 37 H 0.0363 3.6081 -0.9313 H 1 UNL1111111111 0.1520 38 H 1.1516 1.7168 -1.7486 H 1 UNL1111111111 0.1675 39 H -4.9811 -0.3647 0.8682 H 1 UNL1111111111 0.1860 40 H -4.2339 0.6056 2.1443 H 1 UNL1111111111 0.1525 41 H -3.7611 -1.0883 1.8945 H 1 UNL1111111111 0.1800 42 H 3.6508 -1.8615 1.7041 H 1 UNL1111111111 0.1521 43 H 0.8663 -1.3119 3.0499 H 1 UNL1111111111 0.3251 44 H 4.8872 0.3457 1.6449 H 1 UNL1111111111 0.1439 45 H 5.9023 -1.0166 1.1417 H 1 UNL1111111111 0.1390 46 H 5.2557 0.1018 -0.0653 H 1 UNL1111111111 0.1526 47 H 4.1543 -1.8480 -1.3465 H 1 UNL1111111111 0.1522 48 H 4.7756 -3.0117 -0.1699 H 1 UNL1111111111 0.1378 49 H 3.0382 -2.9297 -0.5062 H 1 UNL1111111111 0.1463 50 H -3.1038 -3.3890 -2.0186 H 1 UNL1111111111 0.3492 51 H 3.2729 2.1523 -2.4891 H 1 UNL1111111111 0.1330 52 H 2.5338 0.7130 -3.3005 H 1 UNL1111111111 0.1364 53 H 4.3235 0.8632 -3.1776 H 1 UNL1111111111 0.1488 @BOND 1 1 17 1 2 1 43 1 3 2 20 1 4 2 25 1 5 3 21 1 6 3 50 1 7 4 21 2 8 5 6 1 9 5 7 1 10 5 9 1 11 5 14 1 12 6 8 1 13 6 10 1 14 6 26 1 15 7 13 1 16 7 27 1 17 7 28 1 18 8 11 1 19 8 29 1 20 8 30 1 21 9 12 ar 22 9 16 ar 23 10 15 2 24 10 18 1 25 11 12 1 26 11 31 1 27 11 32 1 28 12 17 ar 29 13 15 1 30 13 33 1 31 13 34 1 32 14 35 1 33 14 36 1 34 14 37 1 35 15 21 1 36 16 20 ar 37 16 38 1 38 17 19 ar 39 18 39 1 40 18 40 1 41 18 41 1 42 19 20 ar 43 19 22 1 44 22 23 1 45 22 24 1 46 22 42 1 47 23 44 1 48 23 45 1 49 23 46 1 50 24 47 1 51 24 48 1 52 24 49 1 53 25 51 1 54 25 52 1 55 25 53 1