@MOLECULE (3s,10s)-3-isopropyl-6,10-dimethyl-6-cyclodecene-1,4-dione 41 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5131 -2.5833 1.0169 O.2 1 UNL1111111111 -0.4608 2 O 0.7690 1.2210 -1.5172 O.2 1 UNL1111111111 -0.4602 3 C 1.4942 -0.3159 0.1464 C.3 1 UNL1111111111 -0.2167 4 C 3.0070 -0.1902 -0.1631 C.3 1 UNL1111111111 -0.0479 5 C 0.8721 -1.5181 -0.5762 C.3 1 UNL1111111111 -0.3955 6 C -1.7021 -1.2529 -0.5712 C.3 1 UNL1111111111 -0.2008 7 C -0.4611 -1.8565 0.0571 C.2 1 UNL1111111111 0.4687 8 C 0.7985 0.9470 -0.3443 C.2 1 UNL1111111111 0.4804 9 C -2.7511 -0.9549 0.5097 C.3 1 UNL1111111111 -0.2567 10 C 0.1639 1.8425 0.6965 C.3 1 UNL1111111111 -0.4022 11 C -2.3354 0.2372 1.3895 C.3 1 UNL1111111111 -0.2751 12 C 3.5473 1.1510 0.3497 C.3 1 UNL1111111111 -0.4647 13 C 3.7855 -1.3349 0.4929 C.3 1 UNL1111111111 -0.4531 14 C -1.2269 2.2044 0.2670 C.2 1 UNL1111111111 0.0410 15 C -2.2363 -2.2574 -1.5942 C.3 1 UNL1111111111 -0.4376 16 C -2.3167 1.4965 0.5890 C.2 1 UNL1111111111 -0.2090 17 C -1.3122 3.4228 -0.5911 C.3 1 UNL1111111111 -0.4572 18 H 1.3661 -0.4422 1.2482 H 1 UNL1111111111 0.1643 19 H 3.1453 -0.2344 -1.2717 H 1 UNL1111111111 0.1475 20 H 1.5423 -2.4006 -0.4994 H 1 UNL1111111111 0.1788 21 H 0.7697 -1.3116 -1.6606 H 1 UNL1111111111 0.1782 22 H -1.4409 -0.2974 -1.0952 H 1 UNL1111111111 0.1708 23 H -2.8981 -1.8519 1.1458 H 1 UNL1111111111 0.1578 24 H -3.7293 -0.7497 0.0364 H 1 UNL1111111111 0.1412 25 H 0.7902 2.7557 0.8075 H 1 UNL1111111111 0.1792 26 H 0.1633 1.3751 1.7014 H 1 UNL1111111111 0.1685 27 H -1.3595 0.0217 1.8672 H 1 UNL1111111111 0.1448 28 H -3.0502 0.3398 2.2334 H 1 UNL1111111111 0.1474 29 H 4.6344 1.2107 0.2194 H 1 UNL1111111111 0.1495 30 H 3.1197 1.9982 -0.1993 H 1 UNL1111111111 0.1485 31 H 3.3410 1.2929 1.4153 H 1 UNL1111111111 0.1459 32 H 3.6588 -1.3383 1.5816 H 1 UNL1111111111 0.1494 33 H 4.8587 -1.2502 0.2884 H 1 UNL1111111111 0.1444 34 H 3.4642 -2.3152 0.1237 H 1 UNL1111111111 0.1463 35 H -1.5003 -2.4665 -2.3793 H 1 UNL1111111111 0.1472 36 H -2.5017 -3.2114 -1.1204 H 1 UNL1111111111 0.1562 37 H -3.1372 -1.8738 -2.0881 H 1 UNL1111111111 0.1525 38 H -3.3025 1.8120 0.2451 H 1 UNL1111111111 0.1497 39 H -2.3300 3.6270 -0.9456 H 1 UNL1111111111 0.1504 40 H -0.6777 3.3029 -1.4878 H 1 UNL1111111111 0.1773 41 H -0.9658 4.3196 -0.0612 H 1 UNL1111111111 0.1517 @BOND 1 1 7 2 2 2 8 2 3 3 4 1 4 3 5 1 5 3 8 1 6 3 18 1 7 4 12 1 8 4 13 1 9 4 19 1 10 5 7 1 11 5 20 1 12 5 21 1 13 6 7 1 14 6 9 1 15 6 15 1 16 6 22 1 17 8 10 1 18 9 11 1 19 9 23 1 20 9 24 1 21 10 14 1 22 10 25 1 23 10 26 1 24 11 16 1 25 11 27 1 26 11 28 1 27 12 29 1 28 12 30 1 29 12 31 1 30 13 32 1 31 13 33 1 32 13 34 1 33 14 16 2 34 14 17 1 35 15 35 1 36 15 36 1 37 15 37 1 38 16 38 1 39 17 39 1 40 17 40 1 41 17 41 1