@MOLECULE 1-[(E)-3,3-dimethylbut-1-enyl]-3-methyl-cyclobutane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.2289 -1.1072 0.0316 C.3 1 UNL11111111 -0.2999 2 C -3.1739 0.0019 -0.5168 C.3 1 UNL11111111 -0.0818 3 H -3.2416 -0.0048 -1.6178 H 1 UNL11111111 0.1310 4 C -4.5560 0.0277 0.1046 C.3 1 UNL11111111 -0.4534 5 C -2.1987 1.0919 0.0163 C.3 1 UNL11111111 -0.2996 6 C -1.2442 -0.0174 0.5565 C.3 1 UNL11111111 -0.1154 7 H -1.1677 -0.0113 1.6571 H 1 UNL11111111 0.1386 8 C 0.0851 -0.0361 -0.1053 C.2 1 UNL11111111 -0.1778 9 C 1.2287 0.0082 0.5821 C.2 1 UNL11111111 -0.1830 10 C 2.6106 0.0037 -0.0162 C.3 1 UNL11111111 0.1193 11 C 2.6082 -0.1713 -1.5422 C.3 1 UNL11111111 -0.4614 12 C 3.2782 1.3468 0.3356 C.3 1 UNL11111111 -0.4594 13 C 3.4023 -1.1562 0.6175 C.3 1 UNL11111111 -0.4602 14 H -2.6619 -1.7298 0.8156 H 1 UNL11111111 0.1409 15 H -1.8130 -1.7660 -0.7325 H 1 UNL11111111 0.1410 16 H -4.5112 0.0100 1.2000 H 1 UNL11111111 0.1473 17 H -5.1037 0.9325 -0.1851 H 1 UNL11111111 0.1451 18 H -5.1504 -0.8373 -0.2125 H 1 UNL11111111 0.1449 19 H -1.7644 1.7285 -0.7559 H 1 UNL11111111 0.1411 20 H -2.6150 1.7371 0.7912 H 1 UNL11111111 0.1409 21 H 0.0534 -0.0859 -1.1920 H 1 UNL11111111 0.1495 22 H 1.2294 0.0595 1.6716 H 1 UNL11111111 0.1436 23 H 2.0744 0.6469 -2.0372 H 1 UNL11111111 0.1460 24 H 3.6283 -0.1846 -1.9401 H 1 UNL11111111 0.1444 25 H 2.1290 -1.1120 -1.8338 H 1 UNL11111111 0.1467 26 H 3.3378 1.4943 1.4185 H 1 UNL11111111 0.1439 27 H 4.2957 1.3989 -0.0628 H 1 UNL11111111 0.1443 28 H 2.7124 2.1871 -0.0814 H 1 UNL11111111 0.1478 29 H 2.9082 -2.1158 0.4301 H 1 UNL11111111 0.1478 30 H 4.4146 -1.2169 0.2062 H 1 UNL11111111 0.1443 31 H 3.4926 -1.0364 1.7016 H 1 UNL11111111 0.1436 @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 2 10 9 10 1 11 10 11 1 12 10 12 1 13 10 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 8 21 1 22 9 22 1 23 11 23 1 24 11 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