@MOLECULE (1S,2S)-1-isopentyloxy-2-methyl-cyclobutane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.2152 -0.2713 -0.2642 C.3 1 UNL11111111 -0.0557 2 C -4.2697 -0.9881 0.5890 C.3 1 UNL11111111 -0.4551 3 C -3.6738 1.1601 -0.5664 C.3 1 UNL11111111 -0.4556 4 C -1.8660 -0.2738 0.4724 C.3 1 UNL11111111 -0.3089 5 C -0.7376 0.2382 -0.4274 C.3 1 UNL11111111 -0.0369 6 O 0.4426 -0.2875 0.1727 O.3 1 UNL11111111 -0.4135 7 C 1.6273 0.1552 -0.4316 C.3 1 UNL11111111 0.0977 8 H 1.5796 0.0825 -1.5232 H 1 UNL11111111 0.1174 9 C 2.8049 -0.5998 0.2635 C.3 1 UNL11111111 -0.1130 10 H 2.4444 -1.2422 1.0882 H 1 UNL11111111 0.1544 11 C 3.7086 -1.3675 -0.6757 C.3 1 UNL11111111 -0.4517 12 C 3.3598 0.7670 0.7662 C.3 1 UNL11111111 -0.2852 13 C 2.1475 1.5050 0.1421 C.3 1 UNL11111111 -0.3372 14 H -3.1016 -0.8253 -1.2279 H 1 UNL11111111 0.1292 15 H -5.2405 -1.0106 0.0829 H 1 UNL11111111 0.1423 16 H -3.9808 -2.0247 0.7931 H 1 UNL11111111 0.1437 17 H -4.4127 -0.4886 1.5532 H 1 UNL11111111 0.1459 18 H -2.9570 1.6861 -1.2049 H 1 UNL11111111 0.1404 19 H -4.6396 1.1651 -1.0828 H 1 UNL11111111 0.1420 20 H -3.7892 1.7454 0.3523 H 1 UNL11111111 0.1463 21 H -1.9210 0.3308 1.3955 H 1 UNL11111111 0.1484 22 H -1.6172 -1.3009 0.8114 H 1 UNL11111111 0.1593 23 H -0.8155 -0.1492 -1.4581 H 1 UNL11111111 0.1149 24 H -0.6869 1.3392 -0.4477 H 1 UNL11111111 0.1156 25 H 4.0674 -0.7449 -1.5036 H 1 UNL11111111 0.1450 26 H 4.5911 -1.7527 -0.1495 H 1 UNL11111111 0.1488 27 H 3.1856 -2.2278 -1.1128 H 1 UNL11111111 0.1496 28 H 3.4298 0.8490 1.8529 H 1 UNL11111111 0.1406 29 H 4.3256 1.0463 0.3403 H 1 UNL11111111 0.1393 30 H 2.4003 2.2573 -0.6039 H 1 UNL11111111 0.1381 31 H 1.4725 1.9543 0.8760 H 1 UNL11111111 0.1541 @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 7 8 1 8 7 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 7 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 2 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 11 25 1 26 11 26 1 27 11 27 1 28 12 28 1 29 12 29 1 30 13 30 1 31 13 31 1