@MOLECULE [2-(1-methylcyclopropyl)acetyl] 2,2-dimethylpropanoate 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.1768 -0.4950 0.2263 C.3 1 UNL11111111 -1.0894 2 C 2.9473 0.3800 -0.0319 C.3 1 UNL11111111 0.7538 3 C 2.8009 1.4331 1.0684 C.3 1 UNL11111111 -1.0589 4 C 3.0316 1.0380 -1.4128 C.3 1 UNL11111111 -0.8852 5 C 1.7237 -0.5277 -0.0324 C.2 1 UNL11111111 0.1141 6 O 1.6795 -1.7192 -0.0785 O.2 1 UNL11111111 -0.2295 7 O 0.5873 0.2497 -0.0550 O.3 1 UNL11111111 -0.3037 8 C -0.6693 -0.2385 0.2439 C.2 1 UNL11111111 0.5364 9 O -0.8332 -1.2556 0.8435 O.2 1 UNL11111111 -0.3465 10 C -1.6640 0.7735 -0.2433 C.3 1 UNL11111111 -0.7695 11 C -3.0612 0.1932 -0.2675 C.3 1 UNL11111111 0.4817 12 C -3.2384 -0.8975 -1.2902 C.3 1 UNL11111111 -1.1216 13 C -3.8297 0.1052 1.0387 C.3 1 UNL11111111 -0.3963 14 C -4.2201 1.1371 0.0110 C.3 1 UNL11111111 -0.6421 15 H 4.1337 -0.9724 1.2137 H 1 UNL11111111 0.2929 16 H 4.2602 -1.3041 -0.5123 H 1 UNL11111111 0.2941 17 H 5.0996 0.0930 0.1812 H 1 UNL11111111 0.3038 18 H 3.6849 2.0792 1.1163 H 1 UNL11111111 0.2962 19 H 1.9300 2.0789 0.8954 H 1 UNL11111111 0.2833 20 H 2.6757 0.9736 2.0563 H 1 UNL11111111 0.2943 21 H 3.1276 0.2942 -2.2129 H 1 UNL11111111 0.2607 22 H 2.1397 1.6416 -1.6255 H 1 UNL11111111 0.2492 23 H 3.9008 1.7025 -1.4794 H 1 UNL11111111 0.2427 24 H -1.6073 1.6747 0.4077 H 1 UNL11111111 0.3003 25 H -1.3802 1.1377 -1.2566 H 1 UNL11111111 0.2902 26 H -2.5879 -1.7579 -1.0642 H 1 UNL11111111 0.3401 27 H -4.2671 -1.2787 -1.3157 H 1 UNL11111111 0.3170 28 H -2.9953 -0.5499 -2.3016 H 1 UNL11111111 0.3132 29 H -4.4732 -0.7511 1.2221 H 1 UNL11111111 0.2006 30 H -3.3560 0.4101 1.9666 H 1 UNL11111111 0.1886 31 H -4.0340 2.1883 0.2018 H 1 UNL11111111 0.2359 32 H -5.1462 1.0230 -0.5441 H 1 UNL11111111 0.2536 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 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 11 14 1 15 1 15 1 16 1 16 1 17 1 17 1 18 3 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 4 23 1 24 10 24 1 25 10 25 1 26 12 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 14 31 1 32 14 32 1