@MOLECULE propanoyl 3,3-dimethylpentanoate 31 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.9989 0.2846 0.2383 C.3 1 UNL11111111 -0.7787 2 C 3.6808 1.0244 0.0454 C.3 1 UNL11111111 -0.2176 3 C 2.5926 0.0458 -0.2810 C.2 1 UNL11111111 0.3589 4 O 2.6605 -1.0102 -0.8331 O.2 1 UNL11111111 -0.2852 5 O 1.3857 0.6011 0.0862 O.3 1 UNL11111111 -0.3814 6 C 0.2509 -0.1597 0.3140 C.2 1 UNL11111111 0.5667 7 O 0.3354 -1.3121 0.6125 O.2 1 UNL11111111 -0.3424 8 C -0.9263 0.7549 0.2115 C.3 1 UNL11111111 -0.9330 9 C -2.2763 0.0086 0.0292 C.3 1 UNL11111111 0.8504 10 C -2.1939 -0.9044 -1.1982 C.3 1 UNL11111111 -1.0625 11 C -2.5856 -0.8155 1.2829 C.3 1 UNL11111111 -1.0468 12 C -3.3536 1.1052 -0.1776 C.3 1 UNL11111111 -0.3750 13 C -4.7728 0.5560 -0.3144 C.3 1 UNL11111111 -0.6563 14 H 4.9588 -0.3991 1.0970 H 1 UNL11111111 0.2417 15 H 5.2518 -0.3252 -0.6415 H 1 UNL11111111 0.2462 16 H 5.8271 0.9820 0.4084 H 1 UNL11111111 0.2355 17 H 3.4208 1.6150 0.9503 H 1 UNL11111111 0.1803 18 H 3.7585 1.7675 -0.7783 H 1 UNL11111111 0.1962 19 H -0.9646 1.3877 1.1250 H 1 UNL11111111 0.3102 20 H -0.7740 1.4660 -0.6304 H 1 UNL11111111 0.2846 21 H -1.4337 -1.6873 -1.0663 H 1 UNL11111111 0.2953 22 H -3.1445 -1.4190 -1.3774 H 1 UNL11111111 0.2834 23 H -1.9439 -0.3481 -2.1064 H 1 UNL11111111 0.2803 24 H -2.7197 -0.1823 2.1646 H 1 UNL11111111 0.2659 25 H -3.4997 -1.4061 1.1560 H 1 UNL11111111 0.2733 26 H -1.7807 -1.5307 1.5040 H 1 UNL11111111 0.3080 27 H -3.3207 1.8147 0.6716 H 1 UNL11111111 0.1458 28 H -3.1050 1.6967 -1.0798 H 1 UNL11111111 0.1578 29 H -5.0805 -0.0014 0.5776 H 1 UNL11111111 0.1991 30 H -5.4952 1.3680 -0.4556 H 1 UNL11111111 0.2064 31 H -4.8664 -0.1167 -1.1741 H 1 UNL11111111 0.1929 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 1 14 1 14 1 15 1 15 1 16 1 16 2 17 1 17 2 18 1 18 8 19 1 19 8 20 1 20 10 21 1 21 10 22 1 22 10 23 1 23 11 24 1 24 11 25 1 25 11 26 1 26 12 27 1 27 12 28 1 28 13 29 1 29 13 30 1 30 13 31 1