@MOLECULE [(1S,2S)-2-methylcyclobutyl] 3,3-dimethylbutanoate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.9452 1.1723 1.0063 C.3 1 UNL11111111 -0.4745 2 C -2.9415 0.1605 -0.1463 C.3 1 UNL11111111 0.1579 3 C -3.3492 -1.2254 0.3669 C.3 1 UNL11111111 -0.4751 4 C -3.9413 0.6153 -1.2255 C.3 1 UNL11111111 -0.4715 5 C -1.5401 0.0980 -0.7999 C.3 1 UNL11111111 -0.3822 6 C -0.4426 -0.2317 0.1630 C.2 1 UNL11111111 0.6255 7 O -0.4919 -0.7417 1.2511 O.2 1 UNL11111111 -0.5123 8 O 0.7409 0.1395 -0.4014 O.3 1 UNL11111111 -0.4619 9 C 1.9291 -0.1202 0.3226 C.3 1 UNL11111111 0.1266 10 H 1.7839 0.0533 1.3952 H 1 UNL11111111 0.1451 11 C 3.0760 0.6646 -0.3856 C.3 1 UNL11111111 -0.1184 12 H 2.7192 1.2009 -1.2838 H 1 UNL11111111 0.1530 13 C 3.8637 1.5791 0.5250 C.3 1 UNL11111111 -0.4516 14 C 3.7600 -0.6940 -0.7309 C.3 1 UNL11111111 -0.2879 15 C 2.5782 -1.4662 -0.0892 C.3 1 UNL11111111 -0.3221 16 H -2.2832 0.8495 1.8216 H 1 UNL11111111 0.1657 17 H -2.6128 2.1621 0.6802 H 1 UNL11111111 0.1433 18 H -3.9473 1.2831 1.4338 H 1 UNL11111111 0.1475 19 H -4.3525 -1.2085 0.8042 H 1 UNL11111111 0.1459 20 H -3.3473 -1.9734 -0.4309 H 1 UNL11111111 0.1420 21 H -2.6617 -1.5771 1.1503 H 1 UNL11111111 0.1732 22 H -3.7055 1.6168 -1.5984 H 1 UNL11111111 0.1443 23 H -3.9517 -0.0683 -2.0800 H 1 UNL11111111 0.1442 24 H -4.9603 0.6497 -0.8246 H 1 UNL11111111 0.1493 25 H -1.5376 -0.6600 -1.6134 H 1 UNL11111111 0.1782 26 H -1.3170 1.0634 -1.3048 H 1 UNL11111111 0.1798 27 H 4.2215 1.0601 1.4228 H 1 UNL11111111 0.1492 28 H 4.7443 1.9869 0.0129 H 1 UNL11111111 0.1491 29 H 3.2544 2.4291 0.8586 H 1 UNL11111111 0.1507 30 H 3.8890 -0.8705 -1.8002 H 1 UNL11111111 0.1407 31 H 4.7225 -0.8521 -0.2405 H 1 UNL11111111 0.1425 32 H 2.8462 -2.1176 0.7447 H 1 UNL11111111 0.1488 33 H 1.9808 -2.0481 -0.7966 H 1 UNL11111111 0.1547 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 11 13 1 13 11 14 1 14 14 15 1 15 9 15 1 16 1 16 1 17 1 17 1 18 1 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 4 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 13 29 1 30 14 30 1 31 14 31 1 32 15 32 1 33 15 33 1