@MOLECULE (2S)-2-butoxy-1,1-dimethyl-cyclobutane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.8980 -0.4312 -0.4032 C.3 1 UNL11111111 -0.4372 2 C 3.7590 0.3114 0.2952 C.3 1 UNL11111111 -0.2472 3 C 2.4053 -0.3000 -0.0773 C.3 1 UNL11111111 -0.2914 4 C 1.2689 0.4589 0.6142 C.3 1 UNL11111111 -0.0463 5 O 0.0908 -0.1848 0.1380 O.3 1 UNL11111111 -0.4004 6 C -1.0903 0.4666 0.5172 C.3 1 UNL11111111 0.0777 7 H -1.0994 0.6847 1.5908 H 1 UNL11111111 0.1167 8 C -2.3097 -0.3684 -0.0198 C.3 1 UNL11111111 0.0781 9 C -1.9077 -1.5990 -0.8089 C.3 1 UNL11111111 -0.4492 10 C -3.3197 -0.7004 1.0645 C.3 1 UNL11111111 -0.4659 11 C -2.7142 0.8520 -0.9112 C.3 1 UNL11111111 -0.3006 12 C -1.4789 1.6454 -0.4192 C.3 1 UNL11111111 -0.3380 13 H 5.8715 -0.0008 -0.1442 H 1 UNL11111111 0.1394 14 H 4.9195 -1.4893 -0.1189 H 1 UNL11111111 0.1439 15 H 4.7966 -0.3853 -1.4936 H 1 UNL11111111 0.1441 16 H 3.9033 0.2781 1.3918 H 1 UNL11111111 0.1334 17 H 3.7830 1.3824 0.0173 H 1 UNL11111111 0.1336 18 H 2.2529 -0.2785 -1.1738 H 1 UNL11111111 0.1522 19 H 2.3656 -1.3703 0.2021 H 1 UNL11111111 0.1514 20 H 1.3103 0.3622 1.7127 H 1 UNL11111111 0.1149 21 H 1.2549 1.5263 0.3358 H 1 UNL11111111 0.1162 22 H -1.4217 -2.3405 -0.1616 H 1 UNL11111111 0.1542 23 H -2.7712 -2.0728 -1.2861 H 1 UNL11111111 0.1415 24 H -1.1801 -1.3506 -1.5943 H 1 UNL11111111 0.1592 25 H -3.6285 0.1898 1.6240 H 1 UNL11111111 0.1447 26 H -4.2245 -1.1488 0.6369 H 1 UNL11111111 0.1506 27 H -2.9062 -1.4175 1.7842 H 1 UNL11111111 0.1509 28 H -2.7186 0.6408 -1.9824 H 1 UNL11111111 0.1438 29 H -3.6744 1.3003 -0.6513 H 1 UNL11111111 0.1387 30 H -1.7052 2.5825 0.0887 H 1 UNL11111111 0.1379 31 H -0.7377 1.8430 -1.1988 H 1 UNL11111111 0.1532 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 11 12 1 12 6 12 1 13 1 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 9 22 1 23 9 23 1 24 9 24 1 25 10 25 1 26 10 26 1 27 10 27 1 28 11 28 1 29 11 29 1 30 12 30 1 31 12 31 1