@MOLECULE 3-methylbutanoyl 1-methylcyclobutanecarboxylate 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.7407 -0.8364 -1.0753 C.3 1 UNL11111111 -0.2739 2 C -4.0246 0.0286 -0.9977 C.3 1 UNL11111111 -0.2739 3 C -3.6324 0.4922 0.4285 C.3 1 UNL11111111 -0.2784 4 C -2.3403 -0.3779 0.3602 C.3 1 UNL11111111 -0.0109 5 C -2.2359 -1.4783 1.3935 C.3 1 UNL11111111 -0.4472 6 C -1.0894 0.4562 0.3717 C.2 1 UNL11111111 0.6223 7 O -0.9372 1.5857 0.7286 O.2 1 UNL11111111 -0.4379 8 O -0.0277 -0.3211 -0.0367 O.3 1 UNL11111111 -0.5559 9 C 1.1407 0.2211 -0.5333 C.2 1 UNL11111111 0.6431 10 O 1.1553 1.2819 -1.0817 O.2 1 UNL11111111 -0.4369 11 C 2.2425 -0.7731 -0.3475 C.3 1 UNL11111111 -0.3679 12 C 3.5950 -0.0487 -0.1995 C.3 1 UNL11111111 -0.0396 13 C 3.6299 0.7629 1.0982 C.3 1 UNL11111111 -0.4609 14 C 4.7272 -1.0802 -0.2160 C.3 1 UNL11111111 -0.4572 15 H -2.9154 -1.9109 -1.1682 H 1 UNL11111111 0.1478 16 H -2.0367 -0.5444 -1.8599 H 1 UNL11111111 0.1525 17 H -4.0733 0.8332 -1.7366 H 1 UNL11111111 0.1467 18 H -4.9572 -0.5371 -1.0515 H 1 UNL11111111 0.1399 19 H -3.4503 1.5687 0.5264 H 1 UNL11111111 0.1640 20 H -4.3304 0.1979 1.2152 H 1 UNL11111111 0.1472 21 H -3.1378 -2.1035 1.4060 H 1 UNL11111111 0.1564 22 H -1.3832 -2.1418 1.1884 H 1 UNL11111111 0.1634 23 H -2.1058 -1.0747 2.4063 H 1 UNL11111111 0.1568 24 H 2.0498 -1.4224 0.5322 H 1 UNL11111111 0.1807 25 H 2.2612 -1.4594 -1.2213 H 1 UNL11111111 0.1774 26 H 3.7239 0.6503 -1.0651 H 1 UNL11111111 0.1504 27 H 4.5971 1.2619 1.2272 H 1 UNL11111111 0.1490 28 H 2.8614 1.5479 1.0988 H 1 UNL11111111 0.1602 29 H 3.4638 0.1353 1.9797 H 1 UNL11111111 0.1452 30 H 4.7223 -1.6742 -1.1360 H 1 UNL11111111 0.1425 31 H 5.7056 -0.5893 -0.1513 H 1 UNL11111111 0.1492 32 H 4.6563 -1.7734 0.6291 H 1 UNL11111111 0.1459 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 1 4 1 5 4 5 1 6 4 6 1 7 6 7 2 8 6 8 1 9 8 9 1 10 9 10 2 11 9 11 1 12 11 12 1 13 12 13 1 14 12 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 5 21 1 22 5 22 1 23 5 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 13 27 1 28 13 28 1 29 13 29 1 30 14 30 1 31 14 31 1 32 14 32 1