@MOLECULE (2-cyclobutylacetyl) hexanoate 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 7.0379 -0.8904 0.1586 C.3 1 UNL11111111 -0.7245 2 C 5.8514 0.0709 0.2188 C.3 1 UNL11111111 -0.0815 3 C 4.5225 -0.6867 0.0896 C.3 1 UNL11111111 -0.6190 4 C 3.3452 0.2945 0.0918 C.3 1 UNL11111111 -0.2912 5 C 2.0149 -0.4548 -0.0231 C.3 1 UNL11111111 -0.2751 6 C 0.8882 0.5216 -0.1822 C.2 1 UNL11111111 0.5163 7 O 0.9276 1.7025 -0.3428 O.2 1 UNL11111111 -0.4133 8 O -0.2872 -0.1989 -0.1612 O.3 1 UNL11111111 -0.4079 9 C -1.5462 0.3680 -0.1464 C.2 1 UNL11111111 0.5681 10 O -1.7314 1.5326 0.0248 O.2 1 UNL11111111 -0.3240 11 C -2.5332 -0.7450 -0.3321 C.3 1 UNL11111111 -1.1426 12 C -3.9389 -0.1906 -0.4964 C.3 1 UNL11111111 0.4450 13 C -5.0561 -1.2760 -0.4847 C.3 1 UNL11111111 -0.2838 14 C -5.6783 -0.6248 0.7787 C.3 1 UNL11111111 -0.4615 15 C -4.5582 0.4462 0.7825 C.3 1 UNL11111111 -0.5531 16 H 7.9887 -0.3540 0.2553 H 1 UNL11111111 0.2018 17 H 6.9961 -1.6309 0.9648 H 1 UNL11111111 0.2279 18 H 7.0652 -1.4363 -0.7910 H 1 UNL11111111 0.2025 19 H 5.8733 0.6385 1.1686 H 1 UNL11111111 0.1023 20 H 5.9374 0.8253 -0.5868 H 1 UNL11111111 0.1521 21 H 4.5206 -1.2860 -0.8401 H 1 UNL11111111 0.2690 22 H 4.4208 -1.4125 0.9175 H 1 UNL11111111 0.2167 23 H 3.3578 0.9090 1.0138 H 1 UNL11111111 0.2613 24 H 3.4492 1.0187 -0.7423 H 1 UNL11111111 0.1316 25 H 2.0253 -1.1523 -0.8886 H 1 UNL11111111 0.1392 26 H 1.8439 -1.0986 0.8657 H 1 UNL11111111 0.1968 27 H -2.2531 -1.3639 -1.2128 H 1 UNL11111111 0.3322 28 H -2.4757 -1.4379 0.5364 H 1 UNL11111111 0.4356 29 H -3.9949 0.4792 -1.3723 H 1 UNL11111111 0.0226 30 H -5.7012 -1.2642 -1.3657 H 1 UNL11111111 0.1301 31 H -4.7037 -2.2983 -0.3391 H 1 UNL11111111 0.1346 32 H -6.6850 -0.2271 0.6338 H 1 UNL11111111 0.2102 33 H -5.6937 -1.2683 1.6605 H 1 UNL11111111 0.1800 34 H -3.9105 0.4320 1.6612 H 1 UNL11111111 0.3023 35 H -4.9049 1.4736 0.6438 H 1 UNL11111111 0.1996 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 2 10 9 11 1 11 11 12 1 12 12 13 1 13 13 14 1 14 14 15 1 15 12 15 1 16 1 16 1 17 1 17 1 18 1 18 1 19 2 19 1 20 2 20 1 21 3 21 1 22 3 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 13 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 15 34 1 35 15 35 1