@MOLECULE 6-methylheptanoyl (1S,2S)-2-methylcyclobutanecarboxylate 41 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.0937 -0.0447 0.3167 C.3 1 UNL11111111 -0.0653 2 H 5.1571 1.0486 0.1516 H 1 UNL11111111 0.1594 3 C 5.7585 -0.4360 1.6181 C.3 1 UNL11111111 -0.4554 4 C 5.5386 -0.8646 -0.9310 C.3 1 UNL11111111 -0.2918 5 C 4.0858 -1.3662 -1.1279 C.3 1 UNL11111111 -0.2561 6 C 3.6377 -0.5935 0.1451 C.3 1 UNL11111111 -0.2278 7 H 3.3085 -1.2530 0.9679 H 1 UNL11111111 0.1765 8 C 2.6306 0.4698 -0.1402 C.2 1 UNL11111111 0.6287 9 O 2.7962 1.5900 -0.5187 O.2 1 UNL11111111 -0.4286 10 O 1.3751 -0.0703 0.0398 O.3 1 UNL11111111 -0.5590 11 C 0.2240 0.6868 0.1227 C.2 1 UNL11111111 0.6344 12 O 0.2393 1.8528 0.3733 O.2 1 UNL11111111 -0.4258 13 C -0.9413 -0.2317 -0.0810 C.3 1 UNL11111111 -0.3478 14 C -2.2533 0.5505 0.0259 C.3 1 UNL11111111 -0.2570 15 C -3.4513 -0.3861 -0.1644 C.3 1 UNL11111111 -0.2699 16 C -4.7677 0.3839 -0.0011 C.3 1 UNL11111111 -0.2865 17 C -5.9897 -0.5151 -0.2689 C.3 1 UNL11111111 -0.0632 18 C -6.1758 -1.5441 0.8524 C.3 1 UNL11111111 -0.4549 19 C -7.2510 0.3508 -0.3901 C.3 1 UNL11111111 -0.4570 20 H 6.8114 -0.1252 1.6323 H 1 UNL11111111 0.1521 21 H 5.2676 0.0395 2.4772 H 1 UNL11111111 0.1532 22 H 5.7369 -1.5192 1.7862 H 1 UNL11111111 0.1473 23 H 5.9253 -0.2566 -1.7527 H 1 UNL11111111 0.1468 24 H 6.2655 -1.6525 -0.7229 H 1 UNL11111111 0.1434 25 H 3.6137 -1.0328 -2.0569 H 1 UNL11111111 0.1497 26 H 3.9609 -2.4498 -1.0571 H 1 UNL11111111 0.1452 27 H -0.8583 -0.7357 -1.0679 H 1 UNL11111111 0.1789 28 H -0.9071 -1.0537 0.6668 H 1 UNL11111111 0.1795 29 H -2.3155 1.0616 1.0076 H 1 UNL11111111 0.1539 30 H -2.2765 1.3639 -0.7271 H 1 UNL11111111 0.1541 31 H -3.4115 -0.8578 -1.1640 H 1 UNL11111111 0.1364 32 H -3.4067 -1.2156 0.5663 H 1 UNL11111111 0.1373 33 H -4.8339 0.8157 1.0144 H 1 UNL11111111 0.1413 34 H -4.7840 1.2464 -0.6948 H 1 UNL11111111 0.1403 35 H -5.8350 -1.0567 -1.2329 H 1 UNL11111111 0.1279 36 H -7.0582 -2.1684 0.6751 H 1 UNL11111111 0.1425 37 H -5.3124 -2.2123 0.9326 H 1 UNL11111111 0.1401 38 H -6.3077 -1.0563 1.8242 H 1 UNL11111111 0.1457 39 H -7.1649 1.0712 -1.2102 H 1 UNL11111111 0.1426 40 H -8.1363 -0.2639 -0.5847 H 1 UNL11111111 0.1433 41 H -7.4391 0.9154 0.5294 H 1 UNL11111111 0.1459 @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 1 6 1 8 6 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 2 13 11 13 1 14 13 14 1 15 14 15 1 16 15 16 1 17 16 17 1 18 17 18 1 19 17 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 13 27 1 28 13 28 1 29 14 29 1 30 14 30 1 31 15 31 1 32 15 32 1 33 16 33 1 34 16 34 1 35 17 35 1 36 18 36 1 37 18 37 1 38 18 38 1 39 19 39 1 40 19 40 1 41 19 41 1