@MOLECULE [2-(1-methylcyclobutyl)acetyl] (2S)-2-methylpentanoate 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.5946 0.3946 -0.3877 C.3 1 UNL11111111 -0.1614 2 H 2.4703 0.2397 -1.4900 H 1 UNL11111111 0.1711 3 C 2.7062 1.8921 -0.0940 C.3 1 UNL11111111 -0.4382 4 C 3.8156 -0.3907 0.1126 C.3 1 UNL11111111 -0.2756 5 C 5.0488 -0.1307 -0.7602 C.3 1 UNL11111111 -0.2450 6 C 6.2679 -0.8612 -0.1968 C.3 1 UNL11111111 -0.4395 7 C 1.3663 -0.1098 0.3294 C.2 1 UNL11111111 0.6298 8 O 1.2794 -0.7411 1.3386 O.2 1 UNL11111111 -0.4371 9 O 0.2501 0.2109 -0.4175 O.3 1 UNL11111111 -0.5615 10 C -0.9775 0.4460 0.1656 C.2 1 UNL11111111 0.6518 11 O -1.0649 0.8204 1.2967 O.2 1 UNL11111111 -0.4425 12 C -2.0426 0.2662 -0.8692 C.3 1 UNL11111111 -0.3773 13 C -3.2605 -0.4431 -0.2747 C.3 1 UNL11111111 0.0987 14 C -2.9084 -1.8343 0.2151 C.3 1 UNL11111111 -0.4709 15 C -4.0506 0.4180 0.7608 C.3 1 UNL11111111 -0.2909 16 C -5.2640 0.4726 -0.2001 C.3 1 UNL11111111 -0.2753 17 C -4.4976 -0.3957 -1.2306 C.3 1 UNL11111111 -0.3042 18 H 2.8064 2.0906 0.9814 H 1 UNL11111111 0.1593 19 H 3.5828 2.3287 -0.5869 H 1 UNL11111111 0.1541 20 H 1.8229 2.4380 -0.4514 H 1 UNL11111111 0.1574 21 H 4.0289 -0.1291 1.1682 H 1 UNL11111111 0.1576 22 H 3.5899 -1.4760 0.1256 H 1 UNL11111111 0.1514 23 H 4.8574 -0.4598 -1.7993 H 1 UNL11111111 0.1329 24 H 5.2572 0.9546 -0.8182 H 1 UNL11111111 0.1352 25 H 7.1559 -0.6869 -0.8137 H 1 UNL11111111 0.1394 26 H 6.5034 -0.5246 0.8194 H 1 UNL11111111 0.1455 27 H 6.1050 -1.9442 -0.1550 H 1 UNL11111111 0.1455 28 H -2.3280 1.2658 -1.2657 H 1 UNL11111111 0.1811 29 H -1.6594 -0.3031 -1.7441 H 1 UNL11111111 0.1834 30 H -2.1810 -1.7973 1.0392 H 1 UNL11111111 0.1648 31 H -3.7908 -2.3632 0.5965 H 1 UNL11111111 0.1547 32 H -2.4758 -2.4510 -0.5806 H 1 UNL11111111 0.1494 33 H -4.2412 -0.0869 1.7111 H 1 UNL11111111 0.1499 34 H -3.5956 1.3845 0.9919 H 1 UNL11111111 0.1527 35 H -6.1731 0.0117 0.1925 H 1 UNL11111111 0.1373 36 H -5.5189 1.4743 -0.5523 H 1 UNL11111111 0.1360 37 H -4.3202 0.0873 -2.1920 H 1 UNL11111111 0.1367 38 H -4.9492 -1.3707 -1.4254 H 1 UNL11111111 0.1436 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 2 11 10 12 1 12 12 13 1 13 13 14 1 14 13 15 1 15 15 16 1 16 16 17 1 17 13 17 1 18 3 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 5 24 1 25 6 25 1 26 6 26 1 27 6 27 1 28 12 28 1 29 12 29 1 30 14 30 1 31 14 31 1 32 14 32 1 33 15 33 1 34 15 34 1 35 16 35 1 36 16 36 1 37 17 37 1 38 17 38 1