@MOLECULE propanoyl cyclobutanecarboxylate 23 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.3745 1.2064 -0.6190 C.3 1 UNL11111111 -0.2556 2 C -3.7027 0.4267 -0.4335 C.3 1 UNL11111111 -0.2710 3 C -3.0545 -0.4119 0.6992 C.3 1 UNL11111111 -0.2600 4 C -1.7329 0.3906 0.5417 C.3 1 UNL11111111 -0.2032 5 C -0.5755 -0.4440 0.0956 C.2 1 UNL11111111 0.6227 6 O -0.5647 -1.5550 -0.3385 O.2 1 UNL11111111 -0.4199 7 O 0.5625 0.3190 0.2384 O.3 1 UNL11111111 -0.5610 8 C 1.8445 -0.1408 0.0171 C.2 1 UNL11111111 0.6295 9 O 2.1008 -1.2859 -0.1910 O.2 1 UNL11111111 -0.4173 10 C 2.7615 1.0424 0.1246 C.3 1 UNL11111111 -0.3244 11 C 4.2068 0.5996 -0.0608 C.3 1 UNL11111111 -0.4247 12 H -1.8989 1.0671 -1.5943 H 1 UNL11111111 0.1501 13 H -2.4401 2.2798 -0.4258 H 1 UNL11111111 0.1451 14 H -4.5493 1.0399 -0.1173 H 1 UNL11111111 0.1399 15 H -4.0117 -0.1541 -1.3072 H 1 UNL11111111 0.1476 16 H -3.5283 -0.3095 1.6781 H 1 UNL11111111 0.1438 17 H -2.9650 -1.4819 0.4734 H 1 UNL11111111 0.1648 18 H -1.4708 1.0059 1.4210 H 1 UNL11111111 0.1726 19 H 2.4777 1.8074 -0.6305 H 1 UNL11111111 0.1763 20 H 2.6195 1.5406 1.1083 H 1 UNL11111111 0.1767 21 H 4.5058 -0.1359 0.6989 H 1 UNL11111111 0.1595 22 H 4.3610 0.1208 -1.0382 H 1 UNL11111111 0.1606 23 H 4.8974 1.4476 0.0073 H 1 UNL11111111 0.1479 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 1 4 1 5 4 5 1 6 5 6 2 7 5 7 1 8 7 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 1 12 1 13 1 13 1 14 2 14 1 15 2 15 1 16 3 16 1 17 3 17 1 18 4 18 1 19 10 19 1 20 10 20 1 21 11 21 1 22 11 22 1 23 11 23 1