@MOLECULE steganone 50 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1318 -4.4742 0.5742 O.3 1 UNL1111111111 -0.3955 2 O -1.0410 -0.8854 2.8067 O.2 1 UNL1111111111 -0.4314 3 O -1.1005 -4.5691 -1.6474 O.2 1 UNL1111111111 -0.4406 4 O 1.0729 2.4417 0.5869 O.3 1 UNL1111111111 -0.3405 5 O -4.7012 1.9650 0.1399 O.3 1 UNL1111111111 -0.3334 6 O -3.4001 2.9649 -1.5546 O.3 1 UNL1111111111 -0.3336 7 O 4.6219 -0.6251 -0.7336 O.3 1 UNL1111111111 -0.2950 8 O 3.8379 1.8633 0.5656 O.3 1 UNL1111111111 -0.3178 9 C -0.8905 -2.3835 -0.5355 C.3 1 UNL1111111111 -0.1933 10 C -0.4678 -2.2066 0.9323 C.3 1 UNL1111111111 -0.2595 11 C 0.0830 -1.8243 -1.5790 C.3 1 UNL1111111111 -0.2753 12 C -0.9590 -3.5008 1.6092 C.3 1 UNL1111111111 -0.0289 13 C -1.0352 -0.9733 1.6049 C.2 1 UNL1111111111 0.4840 14 C 1.0502 -0.8298 -1.0119 C.ar 1 UNL1111111111 0.0955 15 C -1.0448 -3.8897 -0.6647 C.2 1 UNL1111111111 0.5761 16 C 0.6055 0.3526 -0.4053 C.ar 1 UNL1111111111 -0.1901 17 C -1.5903 0.0911 0.7356 C.ar 1 UNL1111111111 -0.1773 18 C -0.8120 0.6949 -0.2516 C.ar 1 UNL1111111111 0.0940 19 C 2.4114 -1.1002 -1.0900 C.ar 1 UNL1111111111 -0.3031 20 C 1.5494 1.2570 0.0946 C.ar 1 UNL1111111111 0.2233 21 C -2.9313 0.4622 0.9652 C.ar 1 UNL1111111111 -0.1484 22 C -1.3437 1.6944 -1.0957 C.ar 1 UNL1111111111 -0.2026 23 C 3.3528 -0.1893 -0.5815 C.ar 1 UNL1111111111 0.2401 24 C -3.4361 1.4313 0.1371 C.ar 1 UNL1111111111 0.1047 25 C -2.6552 2.0352 -0.8795 C.ar 1 UNL1111111111 0.1578 26 C 2.9240 1.0089 0.0050 C.ar 1 UNL1111111111 -0.0388 27 C -4.7008 2.9475 -0.9199 C.3 1 UNL1111111111 0.1565 28 C 1.2175 2.5545 2.0036 C.3 1 UNL1111111111 -0.1926 29 C 5.6734 0.1423 -0.1587 C.3 1 UNL1111111111 -0.1917 30 C 3.9133 3.1177 -0.1153 C.3 1 UNL1111111111 -0.2090 31 H -1.9021 -1.9265 -0.7022 H 1 UNL1111111111 0.1836 32 H 0.6522 -2.1456 1.0130 H 1 UNL1111111111 0.1963 33 H -0.4896 -1.3444 -2.4064 H 1 UNL1111111111 0.1732 34 H 0.6275 -2.6598 -2.0787 H 1 UNL1111111111 0.1729 35 H -0.2251 -3.9425 2.3024 H 1 UNL1111111111 0.1530 36 H -1.9345 -3.3956 2.1135 H 1 UNL1111111111 0.1490 37 H 2.7764 -2.0204 -1.5463 H 1 UNL1111111111 0.1867 38 H -3.5177 0.0104 1.7623 H 1 UNL1111111111 0.1854 39 H -0.7307 2.1709 -1.8556 H 1 UNL1111111111 0.1879 40 H -4.8640 3.9342 -0.4645 H 1 UNL1111111111 0.1434 41 H -5.4357 2.6312 -1.6727 H 1 UNL1111111111 0.1426 42 H 0.7816 3.5405 2.2050 H 1 UNL1111111111 0.1498 43 H 2.2724 2.5193 2.2948 H 1 UNL1111111111 0.1434 44 H 0.6419 1.7683 2.5050 H 1 UNL1111111111 0.1418 45 H 5.5173 0.2857 0.9161 H 1 UNL1111111111 0.1475 46 H 5.7744 1.1023 -0.6723 H 1 UNL1111111111 0.1386 47 H 6.5468 -0.4974 -0.3454 H 1 UNL1111111111 0.1473 48 H 4.6896 3.6472 0.4485 H 1 UNL1111111111 0.1438 49 H 2.9577 3.6515 -0.0563 H 1 UNL1111111111 0.1517 50 H 4.2104 2.9753 -1.1574 H 1 UNL1111111111 0.1287 @BOND 1 1 12 1 2 1 15 1 3 2 13 2 4 3 15 2 5 4 20 1 6 4 28 1 7 5 24 1 8 5 27 1 9 6 25 1 10 6 27 1 11 7 23 1 12 7 29 1 13 8 26 1 14 8 30 1 15 9 10 1 16 9 11 1 17 9 15 1 18 9 31 1 19 10 12 1 20 10 13 1 21 10 32 1 22 11 14 1 23 11 33 1 24 11 34 1 25 12 35 1 26 12 36 1 27 13 17 1 28 14 16 ar 29 14 19 ar 30 16 18 1 31 16 20 ar 32 17 18 ar 33 17 21 ar 34 18 22 ar 35 19 23 ar 36 19 37 1 37 20 26 ar 38 21 24 ar 39 21 38 1 40 22 25 ar 41 22 39 1 42 23 26 ar 43 24 25 ar 44 27 40 1 45 27 41 1 46 28 42 1 47 28 43 1 48 28 44 1 49 29 45 1 50 29 46 1 51 29 47 1 52 30 48 1 53 30 49 1 54 30 50 1