@MOLECULE 3,8-dimethyl-4-nonanone 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.0072 0.4942 -0.5759 C.3 1 UNL11111111 -0.7555 2 C 3.6970 -0.2890 -0.6172 C.3 1 UNL11111111 -0.1826 3 C 2.5906 0.3965 0.2010 C.3 1 UNL11111111 -0.0993 4 H 2.5598 1.4793 -0.0646 H 1 UNL11111111 0.1568 5 C 2.8252 0.2480 1.7062 C.3 1 UNL11111111 -0.8246 6 C 1.2515 -0.2527 -0.1213 C.2 1 UNL11111111 0.3723 7 O 1.1753 -1.4034 -0.4681 O.2 1 UNL11111111 -0.3251 8 C 0.0330 0.6248 0.0240 C.3 1 UNL11111111 -0.6313 9 C -1.2511 -0.1721 -0.2256 C.3 1 UNL11111111 -0.0804 10 C -2.4897 0.6996 0.0062 C.3 1 UNL11111111 -0.6677 11 C -3.7883 -0.0584 -0.3334 C.3 1 UNL11111111 0.3240 12 C -4.0788 -1.1497 0.7035 C.3 1 UNL11111111 -0.9958 13 C -4.9610 0.9301 -0.3913 C.3 1 UNL11111111 -1.0163 14 H 4.8827 1.5129 -0.9594 H 1 UNL11111111 0.2047 15 H 5.4012 0.5700 0.4438 H 1 UNL11111111 0.2377 16 H 5.7756 0.0055 -1.1864 H 1 UNL11111111 0.2168 17 H 3.3627 -0.4089 -1.6673 H 1 UNL11111111 0.1196 18 H 3.8507 -1.3226 -0.2466 H 1 UNL11111111 0.1751 19 H 2.8300 -0.8078 2.0081 H 1 UNL11111111 0.2747 20 H 3.7953 0.6710 1.9949 H 1 UNL11111111 0.2480 21 H 2.0557 0.7599 2.2937 H 1 UNL11111111 0.2400 22 H 0.0145 1.0771 1.0354 H 1 UNL11111111 0.2461 23 H 0.0997 1.4747 -0.6843 H 1 UNL11111111 0.2073 24 H -1.2472 -0.5781 -1.2565 H 1 UNL11111111 0.1235 25 H -1.2741 -1.0623 0.4339 H 1 UNL11111111 0.1716 26 H -2.5222 1.0465 1.0550 H 1 UNL11111111 0.2505 27 H -2.4245 1.6144 -0.6125 H 1 UNL11111111 0.2155 28 H -3.6742 -0.5370 -1.3362 H 1 UNL11111111 0.1196 29 H -5.0079 -1.6808 0.4700 H 1 UNL11111111 0.2788 30 H -3.2754 -1.8943 0.7359 H 1 UNL11111111 0.2676 31 H -4.1814 -0.7309 1.7098 H 1 UNL11111111 0.3035 32 H -4.8012 1.6977 -1.1554 H 1 UNL11111111 0.2475 33 H -5.8990 0.4179 -0.6315 H 1 UNL11111111 0.2836 34 H -5.1019 1.4398 0.5675 H 1 UNL11111111 0.2937 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 11 13 1 13 1 14 1 14 1 15 1 15 1 16 1 16 2 17 1 17 2 18 1 18 5 19 1 19 5 20 1 20 5 21 1 21 8 22 1 22 8 23 1 23 9 24 1 24 9 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 12 29 1 29 12 30 1 30 12 31 1 31 13 32 1 32 13 33 1 33 13 34 1