@MOLECULE (15S)-15-(1-hydroxy-1-methyl-ethyl)-17-methyl-BLAH-14-one 39 42 0 0 0 SMALL USER_CHARGES @ATOM 1 O 2.0174 1.0052 0.7100 O.3 1 UNL11111111 -0.3659 2 O 3.5851 0.1635 -1.6189 O.3 1 UNL11111111 -0.5522 3 O -3.0970 1.9042 0.0319 O.3 1 UNL11111111 -0.3457 4 O 0.1451 -3.2175 0.0962 O.2 1 UNL11111111 -0.4887 5 O -4.9446 0.4949 -0.3645 O.3 1 UNL11111111 -0.3366 6 N -0.3022 0.8885 0.3535 N.4 1 UNL11111111 -0.3294 7 C 3.1493 0.0665 0.7635 C.3 1 UNL11111111 0.0450 8 C 2.5705 -1.3587 0.5659 C.3 1 UNL11111111 -0.2474 9 C 4.1146 0.5186 -0.3574 C.3 1 UNL11111111 0.3102 10 C 1.1128 -1.0941 0.4057 C.3 1 UNL11111111 -0.3913 11 C 0.9000 0.2569 0.4935 C.3 1 UNL11111111 0.4203 12 C -1.4168 0.0707 0.1342 C.3 1 UNL11111111 0.1977 13 C 0.0349 -2.0124 0.1776 C.2 1 UNL11111111 0.5205 14 C -1.2922 -1.3438 0.0392 C.3 1 UNL11111111 -0.2462 15 C 5.4366 -0.2417 -0.2638 C.3 1 UNL11111111 -0.4766 16 C 4.3198 2.0340 -0.3154 C.3 1 UNL11111111 -0.5018 17 C -2.7007 0.5829 -0.0152 C.3 1 UNL11111111 -0.0149 18 C -0.4379 2.3381 0.4782 C.3 1 UNL11111111 -0.2262 19 C -2.4102 -2.1510 -0.1902 C.3 1 UNL11111111 -0.0156 20 C -3.8037 -0.2530 -0.2487 C.3 1 UNL11111111 0.2154 21 C -3.6971 -1.6283 -0.3404 C.3 1 UNL11111111 -0.2596 22 C -4.5233 1.8687 -0.1961 C.3 1 UNL11111111 0.1613 23 H 3.5733 0.2298 1.7707 H 1 UNL11111111 0.1463 24 H 2.7827 -2.0198 1.4249 H 1 UNL11111111 0.1614 25 H 2.9931 -1.8642 -0.3273 H 1 UNL11111111 0.1810 26 H 6.0637 -0.0165 -1.1386 H 1 UNL11111111 0.1694 27 H 6.0001 0.0232 0.6343 H 1 UNL11111111 0.1498 28 H 5.2770 -1.3276 -0.2716 H 1 UNL11111111 0.1644 29 H 3.3686 2.5734 -0.3987 H 1 UNL11111111 0.1597 30 H 4.9443 2.3588 -1.1582 H 1 UNL11111111 0.1650 31 H 4.8068 2.3560 0.6092 H 1 UNL11111111 0.1524 32 H -0.8524 2.7667 -0.4559 H 1 UNL11111111 0.1672 33 H 0.5390 2.8144 0.6773 H 1 UNL11111111 0.1668 34 H -1.1233 2.5960 1.3094 H 1 UNL11111111 0.1663 35 H 2.6371 0.4028 -1.6713 H 1 UNL11111111 0.3236 36 H -2.2569 -3.2377 -0.2544 H 1 UNL11111111 0.1898 37 H -4.5587 -2.2621 -0.5187 H 1 UNL11111111 0.1825 38 H -4.7267 2.3988 -1.1367 H 1 UNL11111111 0.1411 39 H -5.0186 2.2612 0.7025 H 1 UNL11111111 0.1411 @BOND 1 35 2 1 2 2 9 1 3 30 16 1 4 26 15 1 5 38 22 1 6 37 21 1 7 32 18 1 8 29 16 1 9 5 20 1 10 5 22 1 11 9 16 1 12 9 15 1 13 9 7 1 14 21 20 1 15 21 19 1 16 25 8 1 17 16 31 1 18 28 15 1 19 15 27 1 20 36 19 1 21 20 17 1 22 22 3 1 23 22 39 1 24 19 14 1 25 17 3 1 26 17 12 1 27 14 12 1 28 14 13 1 29 4 13 2 30 12 6 1 31 13 10 1 32 6 18 1 33 6 11 1 34 10 11 1 35 10 8 1 36 18 33 1 37 18 34 1 38 11 1 1 39 8 7 1 40 8 24 1 41 1 7 1 42 7 23 1