@MOLECULE 4,6-dimethyl-5-nonanone 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.3214 0.5722 -0.3197 C.3 1 UNL11111111 -0.0631 2 H 1.1645 0.3936 -1.4086 H 1 UNL11111111 0.1772 3 C 1.8869 1.9788 -0.1129 C.3 1 UNL11111111 -0.9157 4 C 2.2605 -0.5087 0.2407 C.3 1 UNL11111111 -0.6014 5 C 3.4787 -0.7252 -0.6651 C.3 1 UNL11111111 -0.0231 6 C 4.4104 -1.7829 -0.0727 C.3 1 UNL11111111 -0.8005 7 C -0.0012 0.4928 0.4303 C.2 1 UNL11111111 0.2414 8 O -0.0353 0.4478 1.6331 O.2 1 UNL11111111 -0.2586 9 C -1.2751 0.4799 -0.4016 C.3 1 UNL11111111 -0.0362 10 H -1.0632 0.0727 -1.4183 H 1 UNL11111111 0.1500 11 C -1.7581 1.9269 -0.5240 C.3 1 UNL11111111 -0.8542 12 C -2.3159 -0.4157 0.2885 C.3 1 UNL11111111 -0.5015 13 C -3.4767 -0.7615 -0.6514 C.3 1 UNL11111111 -0.0571 14 C -4.4938 -1.6591 0.0537 C.3 1 UNL11111111 -0.8314 15 H 2.0063 2.2046 0.9563 H 1 UNL11111111 0.3003 16 H 2.8731 2.0832 -0.5795 H 1 UNL11111111 0.2648 17 H 1.2348 2.7465 -0.5429 H 1 UNL11111111 0.2496 18 H 2.5838 -0.2278 1.2628 H 1 UNL11111111 0.2587 19 H 1.7116 -1.4627 0.3616 H 1 UNL11111111 0.2406 20 H 3.1518 -1.0324 -1.6764 H 1 UNL11111111 0.1027 21 H 4.0294 0.2250 -0.7996 H 1 UNL11111111 0.1107 22 H 4.7998 -1.4710 0.9035 H 1 UNL11111111 0.2459 23 H 3.8948 -2.7391 0.0690 H 1 UNL11111111 0.2475 24 H 5.2702 -1.9665 -0.7257 H 1 UNL11111111 0.2099 25 H -2.6999 1.9825 -1.0825 H 1 UNL11111111 0.2412 26 H -1.9404 2.3715 0.4636 H 1 UNL11111111 0.2786 27 H -1.0286 2.5567 -1.0449 H 1 UNL11111111 0.2327 28 H -1.8321 -1.3464 0.6445 H 1 UNL11111111 0.2089 29 H -2.6914 0.0802 1.2052 H 1 UNL11111111 0.2271 30 H -3.9721 0.1628 -1.0035 H 1 UNL11111111 0.1147 31 H -3.0944 -1.2657 -1.5589 H 1 UNL11111111 0.1108 32 H -4.0301 -2.5842 0.4153 H 1 UNL11111111 0.2603 33 H -4.9398 -1.1554 0.9189 H 1 UNL11111111 0.2474 34 H -5.3100 -1.9411 -0.6196 H 1 UNL11111111 0.2216 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 13 14 1 14 3 15 1 15 3 16 1 16 3 17 1 17 4 18 1 18 4 19 1 19 5 20 1 20 5 21 1 21 6 22 1 22 6 23 1 23 6 24 1 24 11 25 1 25 11 26 1 26 11 27 1 27 12 28 1 28 12 29 1 29 13 30 1 30 13 31 1 31 14 32 1 32 14 33 1 33 14 34 1