@MOLECULE 2,2,9-trimethyldecan-5-one 40 39 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.7996 0.0684 -0.2284 C.3 1 UNL11111111 0.3031 2 C -5.9995 -0.8878 -0.1875 C.3 1 UNL11111111 -1.0092 3 C -5.0184 1.2187 0.7613 C.3 1 UNL11111111 -0.9710 4 C -3.5062 -0.7047 0.0965 C.3 1 UNL11111111 -0.6089 5 C -2.2615 0.1227 -0.2399 C.3 1 UNL11111111 -0.0818 6 C -0.9802 -0.6637 0.0540 C.3 1 UNL11111111 -0.7840 7 C 0.2395 0.1914 -0.1951 C.2 1 UNL11111111 0.5912 8 O 0.1542 1.3214 -0.6033 O.2 1 UNL11111111 -0.3653 9 C 1.5702 -0.4580 0.0986 C.3 1 UNL11111111 -0.6250 10 C 2.7152 0.5220 -0.1695 C.3 1 UNL11111111 -0.4526 11 C 4.1209 -0.0650 0.0814 C.3 1 UNL11111111 0.7900 12 C 4.3807 -1.2721 -0.8329 C.3 1 UNL11111111 -0.9681 13 C 5.1541 1.0327 -0.2381 C.3 1 UNL11111111 -1.0680 14 C 4.2815 -0.4845 1.5507 C.3 1 UNL11111111 -0.9481 15 H -4.7164 0.4919 -1.2587 H 1 UNL11111111 0.1268 16 H -6.9327 -0.3609 -0.4144 H 1 UNL11111111 0.2814 17 H -5.8930 -1.6957 -0.9187 H 1 UNL11111111 0.2613 18 H -6.1138 -1.3460 0.8001 H 1 UNL11111111 0.2866 19 H -5.0609 0.8575 1.7940 H 1 UNL11111111 0.2890 20 H -4.2104 1.9567 0.7022 H 1 UNL11111111 0.2524 21 H -5.9569 1.7449 0.5567 H 1 UNL11111111 0.2678 22 H -3.4987 -0.9903 1.1640 H 1 UNL11111111 0.2338 23 H -3.4901 -1.6537 -0.4715 H 1 UNL11111111 0.2198 24 H -2.2770 0.4337 -1.3028 H 1 UNL11111111 0.1225 25 H -2.2590 1.0703 0.3358 H 1 UNL11111111 0.1568 26 H -0.9829 -1.0208 1.1024 H 1 UNL11111111 0.2639 27 H -0.9354 -1.5743 -0.5749 H 1 UNL11111111 0.2646 28 H 1.5970 -0.8038 1.1506 H 1 UNL11111111 0.2418 29 H 1.6873 -1.3689 -0.5211 H 1 UNL11111111 0.2281 30 H 2.6478 0.8868 -1.2146 H 1 UNL11111111 0.1759 31 H 2.5751 1.4271 0.4556 H 1 UNL11111111 0.1911 32 H 4.2332 -1.0125 -1.8866 H 1 UNL11111111 0.2619 33 H 5.4081 -1.6351 -0.7246 H 1 UNL11111111 0.2517 34 H 3.7156 -2.1084 -0.5987 H 1 UNL11111111 0.2498 35 H 5.0115 1.9123 0.3981 H 1 UNL11111111 0.2701 36 H 6.1765 0.6753 -0.0807 H 1 UNL11111111 0.2852 37 H 5.0775 1.3618 -1.2795 H 1 UNL11111111 0.2730 38 H 3.6274 -1.3229 1.8067 H 1 UNL11111111 0.2404 39 H 5.3092 -0.7987 1.7614 H 1 UNL11111111 0.2512 40 H 4.0451 0.3425 2.2286 H 1 UNL11111111 0.2506 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 11 13 1 13 11 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 2 18 1 18 3 19 1 19 3 20 1 20 3 21 1 21 4 22 1 22 4 23 1 23 5 24 1 24 5 25 1 25 6 26 1 26 6 27 1 27 9 28 1 28 9 29 1 29 10 30 1 30 10 31 1 31 12 32 1 32 12 33 1 33 12 34 1 34 13 35 1 35 13 36 1 36 13 37 1 37 14 38 1 38 14 39 1 39 14 40 1