@MOLECULE 1,1-dimethylpropyl (1S)-2,2-dimethylcyclobutanecarboxylate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.3311 -0.6004 -0.1974 C.3 1 UNL11111111 0.1295 2 C -2.6486 -2.0023 0.2942 C.3 1 UNL11111111 -0.4665 3 C -1.9147 -0.6112 -1.6559 C.3 1 UNL11111111 -0.4777 4 C -3.4407 0.4514 0.1292 C.3 1 UNL11111111 -0.3033 5 C -2.4538 1.2295 1.0328 C.3 1 UNL11111111 -0.2590 6 C -1.3511 0.1710 0.7687 C.3 1 UNL11111111 -0.2489 7 H -1.0819 -0.4228 1.6619 H 1 UNL11111111 0.1732 8 C -0.1314 0.7306 0.1100 C.2 1 UNL11111111 0.6314 9 O -0.0651 1.6864 -0.6215 O.2 1 UNL11111111 -0.5350 10 O 0.9361 -0.0075 0.4799 O.3 1 UNL11111111 -0.4747 11 C 2.2515 0.2692 -0.0332 C.3 1 UNL11111111 0.3484 12 C 2.2506 0.1161 -1.5505 C.3 1 UNL11111111 -0.5043 13 C 2.6811 1.6697 0.4016 C.3 1 UNL11111111 -0.5121 14 C 3.1008 -0.8039 0.6841 C.3 1 UNL11111111 -0.2903 15 C 2.6497 -2.2256 0.3592 C.3 1 UNL11111111 -0.4274 16 H -1.7772 -2.6630 0.2067 H 1 UNL11111111 0.1523 17 H -2.9609 -2.0084 1.3449 H 1 UNL11111111 0.1485 18 H -3.4613 -2.4509 -0.2899 H 1 UNL11111111 0.1507 19 H -2.7089 -1.0163 -2.2937 H 1 UNL11111111 0.1523 20 H -1.6902 0.4014 -2.0239 H 1 UNL11111111 0.1695 21 H -1.0163 -1.2190 -1.8161 H 1 UNL11111111 0.1512 22 H -3.7977 1.0116 -0.7383 H 1 UNL11111111 0.1474 23 H -4.3102 0.0445 0.6479 H 1 UNL11111111 0.1403 24 H -2.2078 2.2332 0.6635 H 1 UNL11111111 0.1608 25 H -2.7532 1.3147 2.0796 H 1 UNL11111111 0.1406 26 H 1.7054 0.9402 -2.0340 H 1 UNL11111111 0.1761 27 H 3.2689 0.1120 -1.9511 H 1 UNL11111111 0.1544 28 H 1.7610 -0.8156 -1.8560 H 1 UNL11111111 0.1569 29 H 2.5539 1.8098 1.4806 H 1 UNL11111111 0.1566 30 H 3.7288 1.8619 0.1526 H 1 UNL11111111 0.1530 31 H 2.0781 2.4448 -0.0953 H 1 UNL11111111 0.1811 32 H 4.1627 -0.6649 0.4114 H 1 UNL11111111 0.1418 33 H 3.0358 -0.6385 1.7783 H 1 UNL11111111 0.1491 34 H 3.1963 -2.9610 0.9589 H 1 UNL11111111 0.1374 35 H 1.5799 -2.3563 0.5697 H 1 UNL11111111 0.1559 36 H 2.8107 -2.4730 -0.6952 H 1 UNL11111111 0.1407 @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 1 13 11 13 1 14 11 14 1 15 14 15 1 16 2 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 12 26 1 27 12 27 1 28 12 28 1 29 13 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 36 15 36 1