@MOLECULE propyl 2,2-dimethylpentanoate 32 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.7509 -0.6483 -0.0119 C.3 1 UNL11111111 -0.8435 2 C 3.5593 0.3110 -0.0018 C.3 1 UNL11111111 -0.0559 3 C 2.2430 -0.4737 -0.0065 C.3 1 UNL11111111 -0.5388 4 C 0.9901 0.4245 0.0039 C.3 1 UNL11111111 0.5401 5 C 0.9179 1.2799 1.2718 C.3 1 UNL11111111 -0.9211 6 C 0.9125 1.2973 -1.2515 C.3 1 UNL11111111 -0.9248 7 C -0.2213 -0.5031 0.0025 C.2 1 UNL11111111 0.1948 8 O -0.2240 -1.7072 0.0057 O.2 1 UNL11111111 -0.3337 9 O -1.3694 0.2161 -0.0012 O.3 1 UNL11111111 -0.2321 10 C -2.5902 -0.5379 0.0021 C.3 1 UNL11111111 -0.3467 11 C -3.6829 0.5310 -0.0074 C.3 1 UNL11111111 -0.0902 12 C -5.0579 -0.1299 -0.0057 C.3 1 UNL11111111 -0.8409 13 H 5.7003 -0.1025 -0.0068 H 1 UNL11111111 0.2227 14 H 4.7440 -1.3055 0.8651 H 1 UNL11111111 0.2645 15 H 4.7433 -1.2880 -0.9019 H 1 UNL11111111 0.2464 16 H 3.6132 0.9673 0.8868 H 1 UNL11111111 0.1248 17 H 3.6104 0.9806 -0.8807 H 1 UNL11111111 0.1070 18 H 2.2091 -1.1404 -0.8921 H 1 UNL11111111 0.2002 19 H 2.2117 -1.1577 0.8660 H 1 UNL11111111 0.2199 20 H 1.7328 2.0120 1.3050 H 1 UNL11111111 0.2461 21 H -0.0247 1.8413 1.3235 H 1 UNL11111111 0.2661 22 H 0.9888 0.6671 2.1780 H 1 UNL11111111 0.2797 23 H 0.9822 0.6978 -2.1668 H 1 UNL11111111 0.2594 24 H -0.0317 1.8567 -1.2932 H 1 UNL11111111 0.2628 25 H 1.7261 2.0314 -1.2761 H 1 UNL11111111 0.2440 26 H -2.6099 -1.1819 -0.8937 H 1 UNL11111111 0.2037 27 H -2.6125 -1.1685 0.9073 H 1 UNL11111111 0.2239 28 H -3.5667 1.1980 0.8692 H 1 UNL11111111 0.1485 29 H -3.5629 1.1853 -0.8927 H 1 UNL11111111 0.1299 30 H -5.8578 0.6202 -0.0145 H 1 UNL11111111 0.2254 31 H -5.2017 -0.7690 -0.8851 H 1 UNL11111111 0.2499 32 H -5.2061 -0.7530 0.8844 H 1 UNL11111111 0.2679 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 4 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 1 13 1 13 1 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 3 18 1 18 3 19 1 19 5 20 1 20 5 21 1 21 5 22 1 22 6 23 1 23 6 24 1 24 6 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 12 30 1 30 12 31 1 31 12 32 1