@MOLECULE 6-methylheptanoyl 1-methylcyclopropanecarboxylate 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C -5.1879 -0.7999 -1.0210 C.3 1 UNL11111111 -0.4023 2 C -5.5228 0.1432 0.0993 C.3 1 UNL11111111 -0.5617 3 C -4.1649 -0.5477 0.0794 C.3 1 UNL11111111 0.3295 4 C -3.8572 -1.6226 1.0806 C.3 1 UNL11111111 -1.0065 5 C -3.0150 0.3174 -0.3005 C.2 1 UNL11111111 0.1600 6 O -3.0261 1.2905 -0.9976 O.2 1 UNL11111111 -0.2130 7 O -1.8398 -0.1957 0.1955 O.3 1 UNL11111111 -0.2925 8 C -0.7093 0.5864 0.3498 C.2 1 UNL11111111 0.4771 9 O -0.7776 1.7638 0.5290 O.2 1 UNL11111111 -0.3561 10 C 0.4847 -0.3154 0.3418 C.3 1 UNL11111111 -0.5150 11 C 1.7605 0.5145 0.1737 C.3 1 UNL11111111 -0.2027 12 C 2.9968 -0.3905 0.1963 C.3 1 UNL11111111 -0.4262 13 C 4.2665 0.4378 -0.0364 C.3 1 UNL11111111 -0.5897 14 C 5.5412 -0.4093 0.1374 C.3 1 UNL11111111 0.3902 15 C 5.7137 -1.3934 -1.0256 C.3 1 UNL11111111 -0.9620 16 C 6.7639 0.5139 0.2233 C.3 1 UNL11111111 -1.0449 17 H -5.6675 -1.7729 -1.0841 H 1 UNL11111111 0.2029 18 H -5.0075 -0.4048 -2.0206 H 1 UNL11111111 0.2255 19 H -5.5785 1.2149 -0.0979 H 1 UNL11111111 0.2269 20 H -6.2482 -0.1373 0.8580 H 1 UNL11111111 0.2599 21 H -4.7361 -2.2354 1.3172 H 1 UNL11111111 0.3057 22 H -3.0733 -2.3017 0.7112 H 1 UNL11111111 0.2930 23 H -3.4902 -1.1946 2.0257 H 1 UNL11111111 0.2914 24 H 0.5127 -0.9007 1.2865 H 1 UNL11111111 0.2264 25 H 0.3945 -1.0715 -0.4677 H 1 UNL11111111 0.2374 26 H 1.7215 1.0878 -0.7738 H 1 UNL11111111 0.1867 27 H 1.8278 1.2785 0.9750 H 1 UNL11111111 0.1667 28 H 3.0628 -0.9222 1.1637 H 1 UNL11111111 0.1959 29 H 2.9118 -1.1766 -0.5775 H 1 UNL11111111 0.2072 30 H 4.2484 0.8863 -1.0468 H 1 UNL11111111 0.2316 31 H 4.2907 1.2898 0.6700 H 1 UNL11111111 0.2197 32 H 5.4640 -0.9875 1.0894 H 1 UNL11111111 0.1011 33 H 6.6224 -1.9930 -0.9059 H 1 UNL11111111 0.2577 34 H 4.8692 -2.0863 -1.0932 H 1 UNL11111111 0.2463 35 H 5.7889 -0.8703 -1.9849 H 1 UNL11111111 0.2863 36 H 6.6910 1.1970 1.0761 H 1 UNL11111111 0.2725 37 H 7.6875 -0.0624 0.3423 H 1 UNL11111111 0.2821 38 H 6.8710 1.1224 -0.6810 H 1 UNL11111111 0.2931 @BOND 1 1 2 1 2 2 3 1 3 1 3 1 4 3 4 1 5 3 5 1 6 5 6 2 7 5 7 1 8 7 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 14 15 1 16 14 16 1 17 1 17 1 18 1 18 1 19 2 19 1 20 2 20 1 21 4 21 1 22 4 22 1 23 4 23 1 24 10 24 1 25 10 25 1 26 11 26 1 27 11 27 1 28 12 28 1 29 12 29 1 30 13 30 1 31 13 31 1 32 14 32 1 33 15 33 1 34 15 34 1 35 15 35 1 36 16 36 1 37 16 37 1 38 16 38 1