@MOLECULE 1-isopentyloxy-3-methyl-cyclobutane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.1637 0.5254 -0.8892 C.3 1 UNL11111111 -0.3568 2 C -3.2921 0.5872 0.1843 C.3 1 UNL11111111 -0.0736 3 H -3.2858 1.5344 0.7500 H 1 UNL11111111 0.1359 4 C -4.6813 0.2784 -0.3361 C.3 1 UNL11111111 -0.4534 5 C -2.6139 -0.5786 0.9651 C.3 1 UNL11111111 -0.3228 6 C -1.5056 -0.6543 -0.1181 C.3 1 UNL11111111 0.1169 7 H -1.4194 -1.6005 -0.6638 H 1 UNL11111111 0.1147 8 O -0.2963 -0.3062 0.5031 O.3 1 UNL11111111 -0.4112 9 C 0.8320 -0.3846 -0.3627 C.3 1 UNL11111111 -0.0384 10 C 1.9614 0.2566 0.4480 C.3 1 UNL11111111 -0.3104 11 C 3.2840 0.2526 -0.3358 C.3 1 UNL11111111 -0.0562 12 C 4.2733 1.2248 0.3204 C.3 1 UNL11111111 -0.4542 13 C 3.8901 -1.1552 -0.3803 C.3 1 UNL11111111 -0.4543 14 H -2.4986 0.2881 -1.8978 H 1 UNL11111111 0.1418 15 H -1.5428 1.4236 -0.9308 H 1 UNL11111111 0.1534 16 H -4.7072 -0.6592 -0.9032 H 1 UNL11111111 0.1460 17 H -5.4004 0.1832 0.4867 H 1 UNL11111111 0.1467 18 H -5.0425 1.0726 -1.0005 H 1 UNL11111111 0.1457 19 H -2.2372 -0.2981 1.9542 H 1 UNL11111111 0.1595 20 H -3.2137 -1.4820 1.0701 H 1 UNL11111111 0.1441 21 H 1.0287 -1.4463 -0.5898 H 1 UNL11111111 0.1158 22 H 0.6317 0.1646 -1.2978 H 1 UNL11111111 0.1148 23 H 1.6721 1.2912 0.7174 H 1 UNL11111111 0.1526 24 H 2.0756 -0.2720 1.4135 H 1 UNL11111111 0.1550 25 H 3.0900 0.5951 -1.3812 H 1 UNL11111111 0.1277 26 H 4.4600 0.9594 1.3668 H 1 UNL11111111 0.1465 27 H 5.2383 1.2187 -0.1980 H 1 UNL11111111 0.1422 28 H 3.8957 2.2528 0.3017 H 1 UNL11111111 0.1427 29 H 3.2159 -1.8688 -0.8646 H 1 UNL11111111 0.1410 30 H 4.8334 -1.1636 -0.9366 H 1 UNL11111111 0.1414 31 H 4.0990 -1.5324 0.6269 H 1 UNL11111111 0.1470 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 1 6 1 8 6 8 1 9 8 9 1 10 9 10 1 11 10 11 1 12 11 12 1 13 11 13 1 14 1 14 1 15 1 15 1 16 4 16 1 17 4 17 1 18 4 18 1 19 5 19 1 20 5 20 1 21 9 21 1 22 9 22 1 23 10 23 1 24 10 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 13 31 1