@MOLECULE 1-cyclopropyl-3-methyl-1-butanone 23 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.0200 0.4435 -0.4941 C.3 1 UNL11111111 -0.2729 2 C -2.8740 -0.3710 0.7586 C.3 1 UNL11111111 -0.2735 3 C -1.7713 0.5942 0.3583 C.3 1 UNL11111111 -0.3052 4 C -0.4990 0.0178 -0.1702 C.2 1 UNL11111111 0.4890 5 O -0.4967 -0.9512 -0.8887 O.2 1 UNL11111111 -0.4600 6 C 0.7594 0.7341 0.2411 C.3 1 UNL11111111 -0.4041 7 C 2.0290 0.0091 -0.2411 C.3 1 UNL11111111 -0.0335 8 C 3.2398 0.9384 -0.0930 C.3 1 UNL11111111 -0.4585 9 C 2.2502 -1.2800 0.5558 C.3 1 UNL11111111 -0.4560 10 H -2.9362 -0.0482 -1.4647 H 1 UNL11111111 0.1731 11 H -3.7358 1.2587 -0.5400 H 1 UNL11111111 0.1541 12 H -3.4827 -0.1497 1.6308 H 1 UNL11111111 0.1547 13 H -2.6898 -1.4430 0.6816 H 1 UNL11111111 0.1707 14 H -1.6452 1.5100 0.9416 H 1 UNL11111111 0.1671 15 H 0.7358 1.7651 -0.1683 H 1 UNL11111111 0.1672 16 H 0.7858 0.8513 1.3426 H 1 UNL11111111 0.1673 17 H 1.8999 -0.2555 -1.3213 H 1 UNL11111111 0.1481 18 H 3.4070 1.2201 0.9518 H 1 UNL11111111 0.1432 19 H 4.1538 0.4496 -0.4493 H 1 UNL11111111 0.1460 20 H 3.1150 1.8581 -0.6735 H 1 UNL11111111 0.1405 21 H 2.3658 -1.0848 1.6257 H 1 UNL11111111 0.1394 22 H 1.4037 -1.9681 0.4279 H 1 UNL11111111 0.1584 23 H 3.1477 -1.8073 0.2146 H 1 UNL11111111 0.1446 @BOND 1 1 2 1 2 2 3 1 3 1 3 1 4 3 4 1 5 4 5 2 6 4 6 1 7 6 7 1 8 7 8 1 9 7 9 1 10 1 10 1 11 1 11 1 12 2 12 1 13 2 13 1 14 3 14 1 15 6 15 1 16 6 16 1 17 7 17 1 18 8 18 1 19 8 19 1 20 8 20 1 21 9 21 1 22 9 22 1 23 9 23 1