@MOLECULE [(1S)-2,2-dimethylcyclopropyl] 4,4-dimethylpentanoate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.7450 1.2994 -0.8985 C.3 1 UNL11111111 -0.4668 2 C -3.5734 0.1095 0.0571 C.3 1 UNL11111111 0.1338 3 C -3.6707 0.5953 1.5111 C.3 1 UNL11111111 -0.4662 4 C -4.6993 -0.9084 -0.2059 C.3 1 UNL11111111 -0.4702 5 C -2.2253 -0.6051 -0.1912 C.3 1 UNL11111111 -0.2817 6 C -1.0095 0.3079 -0.0144 C.3 1 UNL11111111 -0.3455 7 C 0.2471 -0.5050 -0.0967 C.2 1 UNL11111111 0.6059 8 O 0.4324 -1.6353 0.2656 O.2 1 UNL11111111 -0.4979 9 O 1.2219 0.2554 -0.6733 O.3 1 UNL11111111 -0.4191 10 C 2.5014 -0.3168 -0.7634 C.3 1 UNL11111111 0.0570 11 H 2.4775 -1.3594 -1.0711 H 1 UNL11111111 0.1662 12 C 3.5217 0.6761 -1.2550 C.3 1 UNL11111111 -0.3785 13 C 3.5445 0.2325 0.2040 C.3 1 UNL11111111 0.0210 14 C 3.1177 1.2200 1.2562 C.3 1 UNL11111111 -0.4362 15 C 4.6344 -0.7027 0.6575 C.3 1 UNL11111111 -0.4432 16 H -3.0334 2.1020 -0.6811 H 1 UNL11111111 0.1437 17 H -3.6005 0.9985 -1.9414 H 1 UNL11111111 0.1462 18 H -4.7494 1.7288 -0.8174 H 1 UNL11111111 0.1438 19 H -4.6614 1.0110 1.7236 H 1 UNL11111111 0.1438 20 H -3.5001 -0.2242 2.2176 H 1 UNL11111111 0.1481 21 H -2.9396 1.3798 1.7286 H 1 UNL11111111 0.1423 22 H -4.6918 -1.2550 -1.2442 H 1 UNL11111111 0.1455 23 H -4.6031 -1.7883 0.4387 H 1 UNL11111111 0.1471 24 H -5.6840 -0.4699 -0.0152 H 1 UNL11111111 0.1440 25 H -2.1395 -1.4744 0.4948 H 1 UNL11111111 0.1612 26 H -2.2207 -1.0359 -1.2117 H 1 UNL11111111 0.1469 27 H -1.0092 1.1191 -0.7730 H 1 UNL11111111 0.1783 28 H -1.0387 0.8190 0.9724 H 1 UNL11111111 0.1776 29 H 4.3004 0.3562 -1.9383 H 1 UNL11111111 0.1635 30 H 3.2074 1.6889 -1.4944 H 1 UNL11111111 0.1721 31 H 2.2765 1.8422 0.9216 H 1 UNL11111111 0.1555 32 H 2.7981 0.7091 2.1741 H 1 UNL11111111 0.1529 33 H 3.9401 1.8966 1.5213 H 1 UNL11111111 0.1498 34 H 5.5278 -0.1477 0.9726 H 1 UNL11111111 0.1529 35 H 4.3016 -1.3075 1.5130 H 1 UNL11111111 0.1578 36 H 4.9458 -1.4006 -0.1293 H 1 UNL11111111 0.1485 @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 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 13 14 1 15 13 15 1 16 1 16 1 17 1 17 1 18 1 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 6 27 1 28 6 28 1 29 12 29 1 30 12 30 1 31 14 31 1 32 14 32 1 33 14 33 1 34 15 34 1 35 15 35 1 36 15 36 1