@MOLECULE ethyl isobutyrate 20 19 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.8989 0.2765 -0.2330 O.3 1 UNL11111111 -0.4443 2 O 0.2612 -1.4154 0.6708 O.2 1 UNL11111111 -0.5147 3 C 1.4306 0.4638 -0.3754 C.3 1 UNL11111111 -0.1379 4 C 1.8903 1.3226 0.8042 C.3 1 UNL11111111 -0.4408 5 C 2.5335 -0.4816 -0.8480 C.3 1 UNL11111111 -0.4406 6 C 0.2521 -0.3610 0.0909 C.2 1 UNL11111111 0.5928 7 C -2.1209 -0.3635 0.1635 C.3 1 UNL11111111 0.0075 8 C -3.2093 0.5818 -0.3185 C.3 1 UNL11111111 -0.4613 9 H 1.1155 1.1291 -1.2198 H 1 UNL11111111 0.1659 10 H 2.7627 1.9291 0.5335 H 1 UNL11111111 0.1546 11 H 2.1748 0.7054 1.6669 H 1 UNL11111111 0.1596 12 H 1.1007 2.0100 1.1329 H 1 UNL11111111 0.1530 13 H 3.4453 0.0683 -1.1063 H 1 UNL11111111 0.1513 14 H 2.2259 -1.0513 -1.7331 H 1 UNL11111111 0.1506 15 H 2.7949 -1.2132 -0.0694 H 1 UNL11111111 0.1670 16 H -2.1663 -1.3567 -0.3167 H 1 UNL11111111 0.1335 17 H -2.1106 -0.4875 1.2607 H 1 UNL11111111 0.1330 18 H -4.2047 0.1975 -0.0699 H 1 UNL11111111 0.1536 19 H -3.1039 1.5752 0.1371 H 1 UNL11111111 0.1585 20 H -3.1612 0.7234 -1.4062 H 1 UNL11111111 0.1589 @BOND 1 14 5 1 2 20 8 1 3 9 3 1 4 13 5 1 5 5 3 1 6 5 15 1 7 3 6 1 8 3 4 1 9 8 18 1 10 8 19 1 11 8 7 1 12 16 7 1 13 1 6 1 14 1 7 1 15 6 2 2 16 7 17 1 17 10 4 1 18 4 12 1 19 4 11 1