@MOLECULE S-[(1S,2S)-2-methylcyclobutyl] 2,2-dimethylpentanethioate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.3449 1.2559 -0.0115 C.3 1 UNL11111111 -0.4408 2 C 4.3637 0.0829 0.0153 C.3 1 UNL11111111 -0.2451 3 C 2.9201 0.5966 0.0571 C.3 1 UNL11111111 -0.2860 4 C 1.8535 -0.5237 0.0195 C.3 1 UNL11111111 0.0231 5 C 1.9475 -1.3016 -1.2931 C.3 1 UNL11111111 -0.4562 6 C 1.9947 -1.4609 1.2243 C.3 1 UNL11111111 -0.4552 7 C 0.4983 0.1685 0.1594 C.2 1 UNL11111111 0.4176 8 O 0.3638 1.2702 0.6102 O.2 1 UNL11111111 -0.4434 9 S -0.9715 -0.7757 -0.3565 S.3 1 UNL11111111 -0.1480 10 C -2.3323 0.3919 -0.0376 C.3 1 UNL11111111 -0.1618 11 H -2.0034 1.1702 0.6762 H 1 UNL11111111 0.1782 12 C -3.6681 -0.3045 0.3678 C.3 1 UNL11111111 -0.0829 13 H -3.6427 -1.4074 0.3081 H 1 UNL11111111 0.1454 14 C -4.2128 0.1382 1.7102 C.3 1 UNL11111111 -0.4540 15 C -4.3611 0.3398 -0.8715 C.3 1 UNL11111111 -0.2947 16 C -3.0129 0.9715 -1.3028 C.3 1 UNL11111111 -0.2774 17 H 6.3824 0.9051 -0.0239 H 1 UNL11111111 0.1397 18 H 5.1981 1.8820 -0.8989 H 1 UNL11111111 0.1444 19 H 5.2250 1.8992 0.8677 H 1 UNL11111111 0.1460 20 H 4.5237 -0.5562 -0.8733 H 1 UNL11111111 0.1332 21 H 4.5688 -0.5575 0.8936 H 1 UNL11111111 0.1340 22 H 2.7755 1.2111 0.9701 H 1 UNL11111111 0.1592 23 H 2.7473 1.2906 -0.7890 H 1 UNL11111111 0.1485 24 H 2.9569 -1.7083 -1.4374 H 1 UNL11111111 0.1536 25 H 1.2679 -2.1618 -1.3281 H 1 UNL11111111 0.1610 26 H 1.7316 -0.6657 -2.1604 H 1 UNL11111111 0.1552 27 H 1.9544 -0.9093 2.1719 H 1 UNL11111111 0.1559 28 H 1.2105 -2.2274 1.2504 H 1 UNL11111111 0.1592 29 H 2.9536 -1.9922 1.1971 H 1 UNL11111111 0.1552 30 H -4.2512 1.2309 1.8004 H 1 UNL11111111 0.1511 31 H -5.2315 -0.2374 1.8680 H 1 UNL11111111 0.1492 32 H -3.5907 -0.2355 2.5338 H 1 UNL11111111 0.1520 33 H -4.7747 -0.3801 -1.5802 H 1 UNL11111111 0.1407 34 H -5.1427 1.0625 -0.6280 H 1 UNL11111111 0.1445 35 H -3.0127 2.0651 -1.3444 H 1 UNL11111111 0.1465 36 H -2.6318 0.6081 -2.2618 H 1 UNL11111111 0.1524 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 4 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 2 20 1 21 2 21 1 22 3 22 1 23 3 23 1 24 5 24 1 25 5 25 1 26 5 26 1 27 6 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