@MOLECULE [(1S,2S)-2-methylcyclobutyl] 4,4-dimethylpentanoate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.8726 0.4534 1.4689 C.3 1 UNL11111111 -0.4662 2 C -3.6257 -0.2018 0.1019 C.3 1 UNL11111111 0.1326 3 C -3.6137 -1.7303 0.2552 C.3 1 UNL11111111 -0.4665 4 C -4.7645 0.1951 -0.8567 C.3 1 UNL11111111 -0.4693 5 C -2.2989 0.2962 -0.5131 C.3 1 UNL11111111 -0.2821 6 C -1.0725 -0.0071 0.3498 C.3 1 UNL11111111 -0.3450 7 C 0.1639 0.4711 -0.3487 C.2 1 UNL11111111 0.6113 8 O 0.2549 1.2580 -1.2535 O.2 1 UNL11111111 -0.5078 9 O 1.2472 -0.1361 0.2044 O.3 1 UNL11111111 -0.4547 10 C 2.5235 0.2006 -0.3091 C.3 1 UNL11111111 0.1240 11 H 2.4881 0.3333 -1.3967 H 1 UNL11111111 0.1455 12 C 3.5346 -0.8430 0.2563 C.3 1 UNL11111111 -0.1192 13 H 3.0481 -1.5628 0.9395 H 1 UNL11111111 0.1531 14 C 4.3589 -1.5529 -0.7935 C.3 1 UNL11111111 -0.4510 15 C 4.2619 0.3089 1.0162 C.3 1 UNL11111111 -0.2863 16 C 3.2032 1.3244 0.5134 C.3 1 UNL11111111 -0.3225 17 H -3.1441 0.1228 2.2155 H 1 UNL11111111 0.1428 18 H -3.8141 1.5451 1.4048 H 1 UNL11111111 0.1468 19 H -4.8661 0.2002 1.8541 H 1 UNL11111111 0.1439 20 H -4.5870 -2.1012 0.5936 H 1 UNL11111111 0.1440 21 H -3.3866 -2.2247 -0.6951 H 1 UNL11111111 0.1462 22 H -2.8708 -2.0602 0.9879 H 1 UNL11111111 0.1430 23 H -4.8232 1.2814 -0.9803 H 1 UNL11111111 0.1465 24 H -4.6234 -0.2447 -1.8494 H 1 UNL11111111 0.1460 25 H -5.7357 -0.1446 -0.4833 H 1 UNL11111111 0.1436 26 H -2.1674 -0.1538 -1.5176 H 1 UNL11111111 0.1508 27 H -2.3608 1.3893 -0.6939 H 1 UNL11111111 0.1570 28 H -1.1497 0.4908 1.3402 H 1 UNL11111111 0.1776 29 H -0.9967 -1.0931 0.5707 H 1 UNL11111111 0.1788 30 H 4.8356 -0.8513 -1.4892 H 1 UNL11111111 0.1494 31 H 5.1575 -2.1486 -0.3337 H 1 UNL11111111 0.1493 32 H 3.7411 -2.2366 -1.3899 H 1 UNL11111111 0.1506 33 H 4.2928 0.1829 2.1001 H 1 UNL11111111 0.1407 34 H 5.2780 0.5068 0.6679 H 1 UNL11111111 0.1426 35 H 3.5963 2.1510 -0.0820 H 1 UNL11111111 0.1496 36 H 2.5689 1.7438 1.2992 H 1 UNL11111111 0.1550 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 12 13 1 13 12 14 1 14 12 15 1 15 15 16 1 16 10 16 1 17 1 17 1 18 1 18 1 19 1 19 1 20 3 20 1 21 3 21 1 22 3 22 1 23 4 23 1 24 4 24 1 25 4 25 1 26 5 26 1 27 5 27 1 28 6 28 1 29 6 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