@MOLECULE [(1R,2R)-2-methylcyclobutyl] 2,2-dimethylpentanoate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.2155 -0.1342 -0.6301 C.3 1 UNL11111111 -0.4403 2 C 4.0152 -0.1757 0.3170 C.3 1 UNL11111111 -0.2428 3 C 2.7113 0.0254 -0.4628 C.3 1 UNL11111111 -0.2862 4 C 1.4518 -0.0248 0.4247 C.3 1 UNL11111111 0.0351 5 C 1.3124 -1.3746 1.1332 C.3 1 UNL11111111 -0.4523 6 C 1.4248 1.1280 1.4319 C.3 1 UNL11111111 -0.4534 7 C 0.2503 0.1466 -0.5007 C.2 1 UNL11111111 0.5824 8 O 0.2610 0.3638 -1.6840 O.2 1 UNL11111111 -0.5163 9 O -0.9002 0.0138 0.2052 O.3 1 UNL11111111 -0.4430 10 C -2.1271 0.1357 -0.4909 C.3 1 UNL11111111 0.1175 11 H -2.0259 -0.1440 -1.5464 H 1 UNL11111111 0.1501 12 C -3.2080 -0.6139 0.3477 C.3 1 UNL11111111 -0.1203 13 H -2.7903 -1.0410 1.2773 H 1 UNL11111111 0.1512 14 C -3.9926 -1.6477 -0.4280 C.3 1 UNL11111111 -0.4506 15 C -3.9313 0.7469 0.5871 C.3 1 UNL11111111 -0.2860 16 C -2.8120 1.4920 -0.1858 C.3 1 UNL11111111 -0.3210 17 H 6.1558 -0.2718 -0.0858 H 1 UNL11111111 0.1382 18 H 5.1552 -0.9232 -1.3884 H 1 UNL11111111 0.1447 19 H 5.2774 0.8239 -1.1582 H 1 UNL11111111 0.1449 20 H 3.9975 -1.1427 0.8541 H 1 UNL11111111 0.1340 21 H 4.1220 0.6040 1.0942 H 1 UNL11111111 0.1337 22 H 2.7424 0.9947 -1.0011 H 1 UNL11111111 0.1552 23 H 2.6302 -0.7416 -1.2597 H 1 UNL11111111 0.1542 24 H 2.1251 -1.5337 1.8512 H 1 UNL11111111 0.1535 25 H 0.3686 -1.4392 1.6918 H 1 UNL11111111 0.1621 26 H 1.3324 -2.2085 0.4219 H 1 UNL11111111 0.1522 27 H 1.5259 2.1015 0.9375 H 1 UNL11111111 0.1527 28 H 0.4850 1.1400 2.0005 H 1 UNL11111111 0.1610 29 H 2.2430 1.0408 2.1561 H 1 UNL11111111 0.1544 30 H -3.3618 -2.5040 -0.7001 H 1 UNL11111111 0.1508 31 H -4.8335 -2.0333 0.1616 H 1 UNL11111111 0.1486 32 H -4.4074 -1.2393 -1.3579 H 1 UNL11111111 0.1494 33 H -4.9206 0.8188 0.1308 H 1 UNL11111111 0.1424 34 H -4.0202 1.0275 1.6382 H 1 UNL11111111 0.1403 35 H -2.2076 2.1638 0.4302 H 1 UNL11111111 0.1549 36 H -3.1435 2.0439 -1.0673 H 1 UNL11111111 0.1486 @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