@MOLECULE [2-(1-methylcyclobutyl)acetyl] pentanoate 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.4609 0.1683 -0.3689 C.3 1 UNL11111111 -0.4386 2 C 5.2388 -0.7044 -0.0823 C.3 1 UNL11111111 -0.2474 3 C 3.9729 0.1558 0.0026 C.3 1 UNL11111111 -0.2565 4 C 2.7417 -0.7122 0.2820 C.3 1 UNL11111111 -0.3538 5 C 1.5231 0.1538 0.3410 C.2 1 UNL11111111 0.6462 6 O 1.4268 1.3096 0.6265 O.2 1 UNL11111111 -0.4390 7 O 0.4081 -0.6186 0.0889 O.3 1 UNL11111111 -0.5649 8 C -0.7505 -0.0745 -0.4327 C.2 1 UNL11111111 0.6528 9 O -0.7158 0.8936 -1.1310 O.2 1 UNL11111111 -0.4368 10 C -1.9052 -0.9484 -0.0604 C.3 1 UNL11111111 -0.3781 11 C -3.1175 -0.1013 0.3319 C.3 1 UNL11111111 0.0982 12 C -2.8249 0.7670 1.5399 C.3 1 UNL11111111 -0.4713 13 C -3.7613 0.6674 -0.8650 C.3 1 UNL11111111 -0.2912 14 C -5.0391 -0.1992 -0.7431 C.3 1 UNL11111111 -0.2749 15 C -4.4207 -0.9569 0.4599 C.3 1 UNL11111111 -0.3036 16 H 6.6142 0.9167 0.4174 H 1 UNL11111111 0.1457 17 H 7.3740 -0.4337 -0.4308 H 1 UNL11111111 0.1396 18 H 6.3580 0.7058 -1.3188 H 1 UNL11111111 0.1461 19 H 5.1284 -1.4704 -0.8735 H 1 UNL11111111 0.1346 20 H 5.3873 -1.2611 0.8623 H 1 UNL11111111 0.1337 21 H 4.0841 0.9248 0.7939 H 1 UNL11111111 0.1572 22 H 3.8346 0.7245 -0.9387 H 1 UNL11111111 0.1522 23 H 2.6282 -1.4997 -0.4935 H 1 UNL11111111 0.1798 24 H 2.8522 -1.2602 1.2426 H 1 UNL11111111 0.1783 25 H -2.1524 -1.6037 -0.9250 H 1 UNL11111111 0.1820 26 H -1.6365 -1.6384 0.7689 H 1 UNL11111111 0.1833 27 H -2.0259 1.4930 1.3299 H 1 UNL11111111 0.1649 28 H -3.7062 1.3469 1.8419 H 1 UNL11111111 0.1554 29 H -2.5119 0.1718 2.4051 H 1 UNL11111111 0.1493 30 H -3.9114 1.7348 -0.6839 H 1 UNL11111111 0.1500 31 H -3.2222 0.5723 -1.8109 H 1 UNL11111111 0.1526 32 H -5.9463 0.3612 -0.5073 H 1 UNL11111111 0.1374 33 H -5.2458 -0.8249 -1.6141 H 1 UNL11111111 0.1363 34 H -4.2876 -2.0279 0.3052 H 1 UNL11111111 0.1369 35 H -4.9534 -0.8192 1.4033 H 1 UNL11111111 0.1436 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 2 9 8 10 1 10 10 11 1 11 11 12 1 12 11 13 1 13 13 14 1 14 14 15 1 15 11 15 1 16 1 16 1 17 1 17 1 18 1 18 1 19 2 19 1 20 2 20 1 21 3 21 1 22 3 22 1 23 4 23 1 24 4 24 1 25 10 25 1 26 10 26 1 27 12 27 1 28 12 28 1 29 12 29 1 30 13 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 15 34 1 35 15 35 1