@MOLECULE (8r,9s,14s,16r,17r)-13-ethyl-7,8,9,11,12,13,14,15,16,17-decahydro-6h-cyclopenta[a]phenanthrene-3,16,17-triol 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.9944 1.0243 1.2837 O.3 1 UNL1111111111 -0.5534 2 O 4.7903 -1.9187 0.3841 O.3 1 UNL1111111111 -0.5616 3 O -6.2350 0.0091 0.4285 O.3 1 UNL1111111111 -0.4763 4 C 2.1847 0.5928 -0.2345 C.3 1 UNL1111111111 0.0368 5 C 1.5243 -0.7546 -0.6783 C.3 1 UNL1111111111 -0.1450 6 C 0.0803 -0.8867 -0.1581 C.3 1 UNL1111111111 -0.1100 7 C 3.6230 0.2016 0.1985 C.3 1 UNL1111111111 0.0670 8 C -0.6652 0.4518 -0.3231 C.3 1 UNL1111111111 -0.1095 9 C 1.4252 1.1918 0.9558 C.3 1 UNL1111111111 -0.2699 10 C 2.4063 -1.9069 -0.1508 C.3 1 UNL1111111111 -0.3485 11 C 3.5631 -1.2787 0.6318 C.3 1 UNL1111111111 0.1011 12 C -0.0469 1.4879 0.6412 C.3 1 UNL1111111111 -0.2781 13 C 2.2483 1.5667 -1.4280 C.3 1 UNL1111111111 -0.2708 14 C -0.6706 -1.9871 -0.9195 C.3 1 UNL1111111111 -0.2796 15 C -2.1490 0.3193 -0.1079 C.ar 1 UNL1111111111 -0.0959 16 C -2.0303 -2.2109 -0.2520 C.3 1 UNL1111111111 -0.2853 17 C -2.7879 -0.9291 -0.0867 C.ar 1 UNL1111111111 0.0719 18 C 2.8952 2.9051 -1.0723 C.3 1 UNL1111111111 -0.4368 19 C -2.9133 1.4822 0.0249 C.ar 1 UNL1111111111 -0.0912 20 C -4.1676 -1.0096 0.1006 C.ar 1 UNL1111111111 -0.2861 21 C -4.2914 1.4269 0.2087 C.ar 1 UNL1111111111 -0.3189 22 C -4.8961 0.1706 0.2495 C.ar 1 UNL1111111111 0.2931 23 H 1.5044 -0.7951 -1.7906 H 1 UNL1111111111 0.1370 24 H 0.1003 -1.1472 0.9281 H 1 UNL1111111111 0.1498 25 H 4.3634 0.3568 -0.6139 H 1 UNL1111111111 0.1249 26 H -0.5168 0.8057 -1.3773 H 1 UNL1111111111 0.1439 27 H 1.9311 2.1179 1.2974 H 1 UNL1111111111 0.1598 28 H 1.4982 0.4995 1.8178 H 1 UNL1111111111 0.1454 29 H 1.8348 -2.6026 0.4871 H 1 UNL1111111111 0.1574 30 H 2.7853 -2.5259 -0.9819 H 1 UNL1111111111 0.1471 31 H 3.4576 -1.3857 1.7333 H 1 UNL1111111111 0.1575 32 H -0.6186 1.5085 1.5892 H 1 UNL1111111111 0.1445 33 H -0.1391 2.4995 0.2057 H 1 UNL1111111111 0.1337 34 H 1.2259 1.7462 -1.8148 H 1 UNL1111111111 0.1424 35 H 2.8044 1.0971 -2.2618 H 1 UNL1111111111 0.1281 36 H -0.0890 -2.9259 -0.9295 H 1 UNL1111111111 0.1374 37 H -0.8078 -1.7002 -1.9789 H 1 UNL1111111111 0.1431 38 H -1.8920 -2.6804 0.7465 H 1 UNL1111111111 0.1572 39 H -2.6226 -2.9401 -0.8422 H 1 UNL1111111111 0.1514 40 H 2.2318 3.5189 -0.4521 H 1 UNL1111111111 0.1454 41 H 3.8231 2.7662 -0.5012 H 1 UNL1111111111 0.1586 42 H 3.1372 3.4817 -1.9702 H 1 UNL1111111111 0.1350 43 H 4.8509 0.7220 1.6523 H 1 UNL1111111111 0.3201 44 H 4.9774 -1.9912 -0.5711 H 1 UNL1111111111 0.3143 45 H -2.4265 2.4572 -0.0179 H 1 UNL1111111111 0.1525 46 H -4.6827 -1.9658 0.1297 H 1 UNL1111111111 0.1757 47 H -4.8731 2.3343 0.3152 H 1 UNL1111111111 0.1596 48 H -6.7026 0.8718 0.5274 H 1 UNL1111111111 0.3251 @BOND 1 1 7 1 2 1 43 1 3 2 11 1 4 2 44 1 5 3 22 1 6 3 48 1 7 4 5 1 8 4 7 1 9 4 9 1 10 4 13 1 11 5 6 1 12 5 10 1 13 5 23 1 14 6 8 1 15 6 14 1 16 6 24 1 17 7 11 1 18 7 25 1 19 8 12 1 20 8 15 1 21 8 26 1 22 9 12 1 23 9 27 1 24 9 28 1 25 10 11 1 26 10 29 1 27 10 30 1 28 11 31 1 29 12 32 1 30 12 33 1 31 13 18 1 32 13 34 1 33 13 35 1 34 14 16 1 35 14 36 1 36 14 37 1 37 15 17 ar 38 15 19 ar 39 16 17 1 40 16 38 1 41 16 39 1 42 17 20 ar 43 18 40 1 44 18 41 1 45 18 42 1 46 19 21 ar 47 19 45 1 48 20 22 ar 49 20 46 1 50 21 22 ar 51 21 47 1