@MOLECULE isobutyl isopropyl ether 24 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.8099 0.0901 0.3646 C.3 1 UNL111111111 0.1582 2 C 2.6421 -1.1549 0.0455 C.3 1 UNL111111111 -0.4704 3 C 2.3373 1.3285 -0.3648 C.3 1 UNL111111111 -0.4953 4 O 0.5217 -0.2358 -0.1425 O.3 1 UNL111111111 -0.4235 5 C -0.5445 0.4838 0.4584 C.3 1 UNL111111111 -0.0557 6 C -1.7899 0.0535 -0.3397 C.3 1 UNL111111111 -0.0788 7 C -2.0644 -1.4369 -0.1257 C.3 1 UNL111111111 -0.4469 8 C -2.9879 0.8973 0.1043 C.3 1 UNL111111111 -0.4563 9 H 1.7568 0.2613 1.4614 H 1 UNL111111111 0.1073 10 H 3.6861 -1.0248 0.3418 H 1 UNL111111111 0.1470 11 H 2.2406 -2.0336 0.5644 H 1 UNL111111111 0.1542 12 H 2.6138 -1.3792 -1.0283 H 1 UNL111111111 0.1600 13 H 3.4001 1.4913 -0.1649 H 1 UNL111111111 0.1488 14 H 2.2112 1.2157 -1.4493 H 1 UNL111111111 0.1619 15 H 1.7947 2.2314 -0.0696 H 1 UNL111111111 0.1449 16 H -0.6187 0.2024 1.5221 H 1 UNL111111111 0.1143 17 H -0.3640 1.5681 0.3738 H 1 UNL111111111 0.1122 18 H -1.5877 0.2301 -1.4249 H 1 UNL111111111 0.1446 19 H -2.3082 -1.6588 0.9177 H 1 UNL111111111 0.1407 20 H -2.8958 -1.7849 -0.7465 H 1 UNL111111111 0.1400 21 H -1.1793 -2.0326 -0.3887 H 1 UNL111111111 0.1585 22 H -2.8324 1.9608 -0.1046 H 1 UNL111111111 0.1415 23 H -3.8997 0.5896 -0.4209 H 1 UNL111111111 0.1484 24 H -3.1792 0.7910 1.1778 H 1 UNL111111111 0.1444 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 1 9 1 9 2 10 1 10 2 11 1 11 2 12 1 12 3 13 1 13 3 14 1 14 3 15 1 15 5 16 1 16 5 17 1 17 6 18 1 18 7 19 1 19 7 20 1 20 7 21 1 21 8 22 1 22 8 23 1 23 8 24 1