@MOLECULE methyl (1r,2s)-2-methylcyclobutanecarboxylate 21 21 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.5129 0.7077 -0.5292 C.3 1 UNL111111111 -0.0585 2 H 1.8424 1.0746 -1.5178 H 1 UNL111111111 0.1384 3 C 1.0936 1.8611 0.3549 C.3 1 UNL111111111 -0.4665 4 C 2.5301 -0.2775 0.1196 C.3 1 UNL111111111 -0.2892 5 C 1.5064 -1.4325 -0.0094 C.3 1 UNL111111111 -0.2591 6 C 0.4833 -0.4692 -0.6717 C.3 1 UNL111111111 -0.2345 7 H 0.2610 -0.7109 -1.7276 H 1 UNL111111111 0.1715 8 C -0.7704 -0.3021 0.1188 C.2 1 UNL111111111 0.6050 9 O -0.9367 -0.4181 1.3054 O.2 1 UNL111111111 -0.5089 10 O -1.7948 0.0063 -0.7235 O.3 1 UNL111111111 -0.4193 11 C -3.0678 0.2028 -0.1194 C.3 1 UNL111111111 -0.1700 12 H 1.9213 2.5651 0.5065 H 1 UNL111111111 0.1526 13 H 0.2581 2.4219 -0.0820 H 1 UNL111111111 0.1517 14 H 0.7723 1.5213 1.3510 H 1 UNL111111111 0.1673 15 H 3.4511 -0.4157 -0.4498 H 1 UNL111111111 0.1398 16 H 2.8019 -0.0313 1.1499 H 1 UNL111111111 0.1503 17 H 1.8232 -2.2603 -0.6476 H 1 UNL111111111 0.1430 18 H 1.1754 -1.8467 0.9511 H 1 UNL111111111 0.1615 19 H -3.3645 -0.6878 0.4455 H 1 UNL111111111 0.1416 20 H -3.0383 1.0777 0.5381 H 1 UNL111111111 0.1376 21 H -3.7274 0.3693 -0.9787 H 1 UNL111111111 0.1457 @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 3 12 1 13 3 13 1 14 3 14 1 15 4 15 1 16 4 16 1 17 5 17 1 18 5 18 1 19 11 19 1 20 11 20 1 21 11 21 1