@MOLECULE [(1S)-1-methylbutoxy]cyclopentane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.5104 -0.5762 -1.1139 C.3 1 UNL11111111 -0.3262 2 C -2.7019 -1.3737 -0.5563 C.3 1 UNL11111111 -0.2543 3 C -3.3270 -0.5112 0.5558 C.3 1 UNL11111111 -0.2623 4 C -2.1945 0.3855 1.0706 C.3 1 UNL11111111 -0.2960 5 C -1.2572 0.5920 -0.1350 C.3 1 UNL11111111 0.1329 6 O 0.0447 0.5151 0.4149 O.3 1 UNL11111111 -0.4392 7 C 1.0882 1.0116 -0.4124 C.3 1 UNL11111111 0.1374 8 H 0.9157 0.7052 -1.4659 H 1 UNL11111111 0.1115 9 C 1.1514 2.5360 -0.2847 C.3 1 UNL11111111 -0.4970 10 C 2.3509 0.3486 0.1627 C.3 1 UNL11111111 -0.3013 11 C 2.3798 -1.1469 -0.1720 C.3 1 UNL11111111 -0.2466 12 C 3.6220 -1.8136 0.4186 C.3 1 UNL11111111 -0.4374 13 H -0.6104 -1.2109 -1.1861 H 1 UNL11111111 0.1515 14 H -1.7161 -0.2054 -2.1287 H 1 UNL11111111 0.1335 15 H -3.4353 -1.6104 -1.3419 H 1 UNL11111111 0.1295 16 H -2.3613 -2.3405 -0.1466 H 1 UNL11111111 0.1364 17 H -4.1557 0.0975 0.1559 H 1 UNL11111111 0.1324 18 H -3.7542 -1.1303 1.3593 H 1 UNL11111111 0.1343 19 H -2.5593 1.3389 1.4757 H 1 UNL11111111 0.1368 20 H -1.6360 -0.1066 1.8908 H 1 UNL11111111 0.1613 21 H -1.4082 1.5759 -0.6182 H 1 UNL11111111 0.1089 22 H 1.1754 2.8327 0.7713 H 1 UNL11111111 0.1615 23 H 2.0417 2.9442 -0.7709 H 1 UNL11111111 0.1492 24 H 0.2752 3.0137 -0.7337 H 1 UNL11111111 0.1468 25 H 3.2527 0.8520 -0.2268 H 1 UNL11111111 0.1409 26 H 2.3658 0.4873 1.2621 H 1 UNL11111111 0.1560 27 H 1.4625 -1.6284 0.2247 H 1 UNL11111111 0.1489 28 H 2.3533 -1.2965 -1.2670 H 1 UNL11111111 0.1282 29 H 3.6446 -2.8842 0.1881 H 1 UNL11111111 0.1395 30 H 4.5417 -1.3703 0.0227 H 1 UNL11111111 0.1390 31 H 3.6489 -1.7114 1.5094 H 1 UNL11111111 0.1438 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 1 5 1 6 5 6 1 7 6 7 1 8 7 8 1 9 7 9 1 10 7 10 1 11 10 11 1 12 11 12 1 13 1 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 4 20 1 21 5 21 1 22 9 22 1 23 9 23 1 24 9 24 1 25 10 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 12 31 1