@MOLECULE pentyl 3,3-dimethylcyclobutanecarboxylate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.4867 0.9531 -0.6767 C.3 1 UNL11111111 -0.7893 2 C -3.8085 0.2422 -0.2326 C.3 1 UNL11111111 0.7791 3 C -4.9570 1.1995 0.0323 C.3 1 UNL11111111 -0.9855 4 C -4.2249 -0.8887 -1.1554 C.3 1 UNL11111111 -1.0181 5 C -3.0856 -0.2496 1.0640 C.3 1 UNL11111111 -0.7637 6 C -1.7797 0.4585 0.6160 C.3 1 UNL11111111 0.0986 7 C -0.6604 -0.4905 0.3345 C.2 1 UNL11111111 0.3048 8 O -0.7223 -1.6635 0.0677 O.2 1 UNL11111111 -0.3259 9 O 0.5226 0.1682 0.4154 O.3 1 UNL11111111 -0.2371 10 C 1.7043 -0.6082 0.1750 C.3 1 UNL11111111 -0.3487 11 C 2.8126 0.4351 0.0467 C.3 1 UNL11111111 -0.2408 12 C 4.1733 -0.2589 -0.0632 C.3 1 UNL11111111 -0.3934 13 C 5.2920 0.7733 -0.2572 C.3 1 UNL11111111 -0.1358 14 C 6.6615 0.0947 -0.2750 C.3 1 UNL11111111 -0.8113 15 H -2.0620 0.5743 -1.6097 H 1 UNL11111111 0.2656 16 H -2.5579 2.0398 -0.7573 H 1 UNL11111111 0.2377 17 H -5.3211 1.6522 -0.8976 H 1 UNL11111111 0.2454 18 H -5.8045 0.6841 0.4997 H 1 UNL11111111 0.2707 19 H -4.6620 2.0164 0.7008 H 1 UNL11111111 0.2631 20 H -3.3934 -1.5842 -1.3397 H 1 UNL11111111 0.2878 21 H -5.0451 -1.4752 -0.7257 H 1 UNL11111111 0.2823 22 H -4.5592 -0.5117 -2.1282 H 1 UNL11111111 0.2521 23 H -3.5075 0.1298 1.9959 H 1 UNL11111111 0.2542 24 H -3.0057 -1.3397 1.1455 H 1 UNL11111111 0.2744 25 H -1.4580 1.2773 1.2846 H 1 UNL11111111 0.1634 26 H 1.8431 -1.2822 1.0376 H 1 UNL11111111 0.2005 27 H 1.5714 -1.2074 -0.7426 H 1 UNL11111111 0.1987 28 H 2.6266 1.0797 -0.8337 H 1 UNL11111111 0.1411 29 H 2.7909 1.1167 0.9198 H 1 UNL11111111 0.1743 30 H 4.3695 -0.8600 0.8451 H 1 UNL11111111 0.2115 31 H 4.1736 -0.9748 -0.9070 H 1 UNL11111111 0.1885 32 H 5.1336 1.3302 -1.2001 H 1 UNL11111111 0.1193 33 H 5.2562 1.5289 0.5503 H 1 UNL11111111 0.1294 34 H 6.8685 -0.4165 0.6719 H 1 UNL11111111 0.2510 35 H 6.7297 -0.6520 -1.0739 H 1 UNL11111111 0.2341 36 H 7.4635 0.8232 -0.4367 H 1 UNL11111111 0.2218 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 1 15 1 16 1 16 1 17 3 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 5 24 1 25 6 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 14 34 1 35 14 35 1 36 14 36 1