@MOLECULE 4-methylpentanoyl (1S,2S)-2-methylcyclobutanecarboxylate 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.0807 0.0736 0.1071 C.3 1 UNL11111111 -0.0662 2 H 4.1326 0.9733 -0.5367 H 1 UNL11111111 0.1602 3 C 4.9435 0.2403 1.3387 C.3 1 UNL11111111 -0.4551 4 C 4.3042 -1.2477 -0.6869 C.3 1 UNL11111111 -0.2943 5 C 2.8337 -1.6609 -0.4257 C.3 1 UNL11111111 -0.2549 6 C 2.6098 -0.3673 0.4069 C.3 1 UNL11111111 -0.2261 7 H 2.4090 -0.5606 1.4760 H 1 UNL11111111 0.1757 8 C 1.5802 0.5451 -0.1743 C.2 1 UNL11111111 0.6241 9 O 1.7275 1.5210 -0.8452 O.2 1 UNL11111111 -0.4241 10 O 0.3417 0.0491 0.1696 O.3 1 UNL11111111 -0.5548 11 C -0.8527 0.6879 -0.0930 C.2 1 UNL11111111 0.6300 12 O -0.9205 1.8086 -0.4944 O.2 1 UNL11111111 -0.4218 13 C -1.9534 -0.2686 0.2544 C.3 1 UNL11111111 -0.3477 14 C -3.3144 0.3908 0.0185 C.3 1 UNL11111111 -0.2742 15 C -4.4712 -0.5249 0.4598 C.3 1 UNL11111111 -0.0559 16 C -5.7717 0.2871 0.5159 C.3 1 UNL11111111 -0.4563 17 C -4.6356 -1.7065 -0.5030 C.3 1 UNL11111111 -0.4553 18 H 5.9921 0.4143 1.0646 H 1 UNL11111111 0.1518 19 H 4.6180 1.0987 1.9408 H 1 UNL11111111 0.1533 20 H 4.9193 -0.6440 1.9863 H 1 UNL11111111 0.1468 21 H 4.5559 -1.1020 -1.7402 H 1 UNL11111111 0.1459 22 H 5.0485 -1.9186 -0.2528 H 1 UNL11111111 0.1434 23 H 2.2165 -1.7389 -1.3256 H 1 UNL11111111 0.1492 24 H 2.7111 -2.5849 0.1454 H 1 UNL11111111 0.1451 25 H -1.8508 -1.1961 -0.3494 H 1 UNL11111111 0.1793 26 H -1.8482 -0.5978 1.3108 H 1 UNL11111111 0.1787 27 H -3.3650 1.3530 0.5681 H 1 UNL11111111 0.1551 28 H -3.4287 0.6630 -1.0492 H 1 UNL11111111 0.1554 29 H -4.2541 -0.9195 1.4816 H 1 UNL11111111 0.1279 30 H -6.0214 0.7140 -0.4617 H 1 UNL11111111 0.1482 31 H -6.6167 -0.3369 0.8256 H 1 UNL11111111 0.1421 32 H -5.6980 1.1153 1.2293 H 1 UNL11111111 0.1447 33 H -5.4838 -2.3370 -0.2147 H 1 UNL11111111 0.1422 34 H -4.8161 -1.3662 -1.5289 H 1 UNL11111111 0.1482 35 H -3.7459 -2.3438 -0.5172 H 1 UNL11111111 0.1396 @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 2 13 11 13 1 14 13 14 1 15 14 15 1 16 15 16 1 17 15 17 1 18 3 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 5 24 1 25 13 25 1 26 13 26 1 27 14 27 1 28 14 28 1 29 15 29 1 30 16 30 1 31 16 31 1 32 16 32 1 33 17 33 1 34 17 34 1 35 17 35 1