@MOLECULE 1-butoxy-3-methyl-cyclobutane 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.8057 -1.0294 0.0100 C.3 1 UNL11111111 -0.3572 2 C -2.8944 -0.1314 -0.6516 C.3 1 UNL11111111 -0.0727 3 H -2.8386 -0.1397 -1.7536 H 1 UNL11111111 0.1361 4 C -4.3099 -0.4001 -0.1811 C.3 1 UNL11111111 -0.4535 5 C -2.2304 1.1332 -0.0288 C.3 1 UNL11111111 -0.3225 6 C -1.1656 0.2339 0.6532 C.3 1 UNL11111111 0.1158 7 H -1.1358 0.2562 1.7483 H 1 UNL11111111 0.1149 8 O 0.0780 0.5758 0.1003 O.3 1 UNL11111111 -0.4101 9 C 1.1674 -0.1589 0.6488 C.3 1 UNL11111111 -0.0416 10 C 2.3585 0.2449 -0.2246 C.3 1 UNL11111111 -0.2925 11 C 3.6354 -0.4504 0.2561 C.3 1 UNL11111111 -0.2482 12 C 4.8353 -0.0152 -0.5854 C.3 1 UNL11111111 -0.4365 13 H -2.1832 -1.7662 0.7176 H 1 UNL11111111 0.1422 14 H -1.1543 -1.5364 -0.7057 H 1 UNL11111111 0.1531 15 H -4.3794 -0.4312 0.9125 H 1 UNL11111111 0.1461 16 H -4.9977 0.3789 -0.5313 H 1 UNL11111111 0.1469 17 H -4.6779 -1.3609 -0.5601 H 1 UNL11111111 0.1457 18 H -1.8077 1.8272 -0.7627 H 1 UNL11111111 0.1596 19 H -2.8578 1.7003 0.6581 H 1 UNL11111111 0.1444 20 H 1.3039 0.1376 1.7030 H 1 UNL11111111 0.1147 21 H 0.9603 -1.2406 0.5918 H 1 UNL11111111 0.1155 22 H 2.1483 -0.0068 -1.2820 H 1 UNL11111111 0.1519 23 H 2.4780 1.3454 -0.2049 H 1 UNL11111111 0.1530 24 H 3.8196 -0.2173 1.3220 H 1 UNL11111111 0.1337 25 H 3.5144 -1.5491 0.2010 H 1 UNL11111111 0.1336 26 H 4.9900 1.0687 -0.5324 H 1 UNL11111111 0.1443 27 H 5.7574 -0.4966 -0.2416 H 1 UNL11111111 0.1395 28 H 4.6998 -0.2765 -1.6411 H 1 UNL11111111 0.1440 @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 1 13 1 14 1 14 1 15 4 15 1 16 4 16 1 17 4 17 1 18 5 18 1 19 5 19 1 20 9 20 1 21 9 21 1 22 10 22 1 23 10 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 12 28 1