@MOLECULE (2-cyclobutylacetyl) 4-methylpentanoate 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.7407 0.5349 -0.2003 C.3 1 UNL11111111 -0.0553 2 C -5.9987 -0.3410 -0.2567 C.3 1 UNL11111111 -0.4564 3 C -4.8492 1.5271 0.9632 C.3 1 UNL11111111 -0.4553 4 C -3.5004 -0.3647 -0.0508 C.3 1 UNL11111111 -0.2744 5 C -2.2060 0.4257 -0.2564 C.3 1 UNL11111111 -0.3501 6 C -1.0339 -0.5054 -0.2630 C.2 1 UNL11111111 0.6398 7 O -1.0052 -1.6940 -0.3644 O.2 1 UNL11111111 -0.4307 8 O 0.1144 0.2571 -0.2127 O.3 1 UNL11111111 -0.5660 9 C 1.3483 -0.2599 0.1286 C.2 1 UNL11111111 0.6401 10 O 1.4624 -1.2688 0.7539 O.2 1 UNL11111111 -0.4225 11 C 2.3935 0.7041 -0.3419 C.3 1 UNL11111111 -0.3643 12 C 3.7307 -0.0012 -0.5011 C.3 1 UNL11111111 -0.0915 13 C 4.9155 0.9525 -0.8356 C.3 1 UNL11111111 -0.2887 14 C 5.6184 0.5462 0.4865 C.3 1 UNL11111111 -0.2753 15 C 4.4353 -0.3939 0.8305 C.3 1 UNL11111111 -0.2733 16 H -4.6623 1.1070 -1.1562 H 1 UNL11111111 0.1279 17 H -6.9022 0.2684 -0.3644 H 1 UNL11111111 0.1421 18 H -5.9691 -1.0335 -1.1050 H 1 UNL11111111 0.1451 19 H -6.1139 -0.9381 0.6546 H 1 UNL11111111 0.1482 20 H -4.8705 1.0120 1.9301 H 1 UNL11111111 0.1482 21 H -4.0084 2.2277 0.9787 H 1 UNL11111111 0.1397 22 H -5.7664 2.1219 0.8906 H 1 UNL11111111 0.1425 23 H -3.4991 -0.8512 0.9440 H 1 UNL11111111 0.1535 24 H -3.5512 -1.1996 -0.7805 H 1 UNL11111111 0.1580 25 H -2.2330 0.9922 -1.2125 H 1 UNL11111111 0.1785 26 H -2.0822 1.1967 0.5343 H 1 UNL11111111 0.1806 27 H 2.0882 1.1793 -1.3002 H 1 UNL11111111 0.1819 28 H 2.4678 1.5425 0.3862 H 1 UNL11111111 0.1832 29 H 3.6465 -0.8481 -1.2042 H 1 UNL11111111 0.1471 30 H 5.4635 0.6839 -1.7413 H 1 UNL11111111 0.1404 31 H 4.6522 2.0092 -0.9021 H 1 UNL11111111 0.1378 32 H 6.5766 0.0395 0.3522 H 1 UNL11111111 0.1380 33 H 5.7673 1.3657 1.1925 H 1 UNL11111111 0.1363 34 H 3.8838 -0.1297 1.7354 H 1 UNL11111111 0.1466 35 H 4.6947 -1.4535 0.9017 H 1 UNL11111111 0.1486 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 2 10 9 11 1 11 11 12 1 12 12 13 1 13 13 14 1 14 14 15 1 15 12 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 2 19 1 20 3 20 1 21 3 21 1 22 3 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 13 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 15 34 1 35 15 35 1