@MOLECULE (1-methylcyclopropyl) 3,3-dimethylpentanoate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.6594 0.2928 -0.3148 C.3 1 UNL1111111 -0.4328 2 C 3.2569 0.7416 -0.7228 C.3 1 UNL1111111 -0.2779 3 C 2.1198 0.0061 0.0344 C.3 1 UNL1111111 0.1406 4 C 2.1537 -1.4943 -0.2752 C.3 1 UNL1111111 -0.4725 5 C 2.2401 0.2406 1.5435 C.3 1 UNL1111111 -0.4716 6 C 0.7890 0.6154 -0.4821 C.3 1 UNL1111111 -0.3902 7 C -0.4360 -0.0328 0.0841 C.2 1 UNL1111111 0.6268 8 O -0.5571 -0.8280 0.9757 O.2 1 UNL1111111 -0.5000 9 O -1.5113 0.4520 -0.6079 O.3 1 UNL1111111 -0.4484 10 C -2.7892 -0.0166 -0.2569 C.3 1 UNL1111111 0.2699 11 C -3.0353 -1.4059 -0.7518 C.3 1 UNL1111111 -0.4688 12 C -3.3801 0.5297 1.0234 C.3 1 UNL1111111 -0.3580 13 C -3.8120 1.0973 -0.3125 C.3 1 UNL1111111 -0.3527 14 H 4.8496 0.4751 0.7488 H 1 UNL1111111 0.1447 15 H 4.8144 -0.7757 -0.5004 H 1 UNL1111111 0.1440 16 H 5.4245 0.8365 -0.8808 H 1 UNL1111111 0.1370 17 H 3.1619 1.8316 -0.5548 H 1 UNL1111111 0.1345 18 H 3.1290 0.5884 -1.8117 H 1 UNL1111111 0.1346 19 H 3.0988 -1.9466 0.0438 H 1 UNL1111111 0.1489 20 H 1.3546 -2.0289 0.2571 H 1 UNL1111111 0.1670 21 H 2.0352 -1.6927 -1.3442 H 1 UNL1111111 0.1420 22 H 2.2621 1.3058 1.7905 H 1 UNL1111111 0.1417 23 H 1.3971 -0.2113 2.0858 H 1 UNL1111111 0.1700 24 H 3.1514 -0.2133 1.9470 H 1 UNL1111111 0.1483 25 H 0.7571 1.7021 -0.2492 H 1 UNL1111111 0.1792 26 H 0.7528 0.5544 -1.5921 H 1 UNL1111111 0.1799 27 H -2.4208 -2.1333 -0.1955 H 1 UNL1111111 0.1771 28 H -4.0837 -1.7058 -0.6348 H 1 UNL1111111 0.1593 29 H -2.7770 -1.5007 -1.8160 H 1 UNL1111111 0.1632 30 H -4.0625 -0.0805 1.6065 H 1 UNL1111111 0.1649 31 H -2.7602 1.1270 1.6863 H 1 UNL1111111 0.1692 32 H -3.4937 2.0976 -0.5961 H 1 UNL1111111 0.1692 33 H -4.8070 0.8981 -0.6955 H 1 UNL1111111 0.1611 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 12 13 1 13 10 13 1 14 1 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 4 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 5 24 1 25 6 25 1 26 6 26 1 27 11 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