@MOLECULE [2-(1-methylcyclobutyl)acetyl] butanoate 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.6984 0.6749 0.2063 C.3 1 UNL11111111 -0.9234 2 C 4.4497 -0.1988 0.1264 C.3 1 UNL11111111 -0.0751 3 C 3.2162 0.6460 -0.2122 C.3 1 UNL11111111 -0.4210 4 C 2.0023 -0.2274 -0.2516 C.2 1 UNL11111111 0.4172 5 O 1.9171 -1.3984 -0.4706 O.2 1 UNL11111111 -0.3725 6 O 0.8815 0.5572 -0.0734 O.3 1 UNL11111111 -0.4354 7 C -0.2983 0.0473 0.4333 C.2 1 UNL11111111 0.7120 8 O -0.3023 -0.9056 1.1526 O.2 1 UNL11111111 -0.3359 9 C -1.4239 0.9406 0.0184 C.3 1 UNL11111111 -0.9565 10 C -2.6548 0.1180 -0.3670 C.3 1 UNL11111111 0.5986 11 C -2.3758 -0.7732 -1.5617 C.3 1 UNL11111111 -0.8684 12 C -3.3270 -0.6164 0.8357 C.3 1 UNL11111111 -0.6633 13 C -4.5827 0.2784 0.6900 C.3 1 UNL11111111 -0.2468 14 C -3.9353 1.0037 -0.5175 C.3 1 UNL11111111 -0.5391 15 H 5.9119 1.1661 -0.7495 H 1 UNL11111111 0.2718 16 H 5.5984 1.4581 0.9665 H 1 UNL11111111 0.2609 17 H 6.5805 0.0778 0.4692 H 1 UNL11111111 0.2541 18 H 4.5843 -0.9968 -0.6328 H 1 UNL11111111 0.1370 19 H 4.2939 -0.7311 1.0866 H 1 UNL11111111 0.1799 20 H 3.0863 1.4672 0.5247 H 1 UNL11111111 0.2171 21 H 3.3410 1.1515 -1.1939 H 1 UNL11111111 0.2129 22 H -1.6626 1.6288 0.8595 H 1 UNL11111111 0.3537 23 H -1.1248 1.5982 -0.8268 H 1 UNL11111111 0.3153 24 H -1.5997 -1.5184 -1.3349 H 1 UNL11111111 0.1853 25 H -3.2705 -1.3305 -1.8666 H 1 UNL11111111 0.2814 26 H -2.0380 -0.1974 -2.4307 H 1 UNL11111111 0.2379 27 H -3.5028 -1.6818 0.6679 H 1 UNL11111111 0.2323 28 H -2.7937 -0.5206 1.7848 H 1 UNL11111111 0.2616 29 H -5.5005 -0.2642 0.4533 H 1 UNL11111111 0.1650 30 H -4.7842 0.9215 1.5491 H 1 UNL11111111 0.1556 31 H -3.7765 2.0731 -0.3750 H 1 UNL11111111 0.1914 32 H -4.4633 0.8673 -1.4635 H 1 UNL11111111 0.1966 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 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 13 14 1 14 10 14 1 15 1 15 1 16 1 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 3 20 1 21 3 21 1 22 9 22 1 23 9 23 1 24 11 24 1 25 11 25 1 26 11 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