@MOLECULE 1-methyl-1-[(E,3S)-3-methylhex-1-enyl]cyclobutane 34 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.0249 -1.2763 -0.5617 C.3 1 UNL111 -0.2963 2 C -4.0475 -0.1866 -0.9696 C.3 1 UNL111 -0.2753 3 C -3.2610 0.8733 -0.1592 C.3 1 UNL111 -0.2941 4 C -2.2132 -0.2163 0.2618 C.3 1 UNL111 0.0756 5 C -2.2042 -0.5023 1.7535 C.3 1 UNL111 -0.4576 6 C -0.8700 0.0630 -0.3191 C.2 1 UNL111 -0.1940 7 C 0.2160 0.3862 0.3870 C.2 1 UNL111 -0.1684 8 C 1.5404 0.6822 -0.2563 C.3 1 UNL111 -0.0938 9 H 1.4679 0.5786 -1.3669 H 1 UNL111 0.1375 10 C 1.9380 2.1267 0.0777 C.3 1 UNL111 -0.4443 11 C 2.5806 -0.3291 0.2672 C.3 1 UNL111 -0.2791 12 C 3.8799 -0.2764 -0.5455 C.3 1 UNL111 -0.2490 13 C 4.8800 -1.3173 -0.0415 C.3 1 UNL111 -0.4407 14 H -3.4389 -2.0871 0.0398 H 1 UNL111 0.1400 15 H -2.4766 -1.7224 -1.3931 H 1 UNL111 0.1402 16 H -4.0959 0.0093 -2.0433 H 1 UNL111 0.1365 17 H -5.0643 -0.3648 -0.6128 H 1 UNL111 0.1357 18 H -2.8453 1.6882 -0.7548 H 1 UNL111 0.1416 19 H -3.8099 1.3106 0.6759 H 1 UNL111 0.1402 20 H -3.2020 -0.7726 2.1184 H 1 UNL111 0.1476 21 H -1.5300 -1.3336 1.9930 H 1 UNL111 0.1507 22 H -1.8765 0.3732 2.3268 H 1 UNL111 0.1480 23 H -0.8369 0.0034 -1.4083 H 1 UNL111 0.1470 24 H 0.2134 0.4603 1.4718 H 1 UNL111 0.1474 25 H 2.8443 2.4233 -0.4595 H 1 UNL111 0.1420 26 H 1.1420 2.8268 -0.2012 H 1 UNL111 0.1465 27 H 2.1300 2.2543 1.1483 H 1 UNL111 0.1444 28 H 2.7919 -0.1376 1.3346 H 1 UNL111 0.1383 29 H 2.1546 -1.3503 0.2224 H 1 UNL111 0.1415 30 H 3.6638 -0.4484 -1.6166 H 1 UNL111 0.1333 31 H 4.3254 0.7344 -0.4840 H 1 UNL111 0.1341 32 H 4.4824 -2.3339 -0.1376 H 1 UNL111 0.1428 33 H 5.8164 -1.2747 -0.6083 H 1 UNL111 0.1396 34 H 5.1263 -1.1579 1.0141 H 1 UNL111 0.1420 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 1 4 1 5 4 5 1 6 4 6 1 7 6 7 2 8 7 8 1 9 8 9 1 10 8 10 1 11 8 11 1 12 11 12 1 13 12 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 5 20 1 21 5 21 1 22 5 22 1 23 6 23 1 24 7 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 32 13 32 1 33 13 33 1 34 13 34 1