@MOLECULE (2-cyclobutylacetyl) pentanoate 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.3466 0.2966 -0.2398 C.3 1 UNL111 -0.4384 2 C 4.9844 0.9839 -0.1456 C.3 1 UNL111 -0.2483 3 C 3.8570 -0.0552 -0.1242 C.3 1 UNL111 -0.2567 4 C 2.4904 0.6286 -0.0255 C.3 1 UNL111 -0.3528 5 C 1.4128 -0.4031 0.1235 C.2 1 UNL111 0.6333 6 O 1.5110 -1.5855 0.2409 O.2 1 UNL111 -0.4224 7 O 0.2057 0.2624 0.1353 O.3 1 UNL111 -0.5635 8 C -1.0264 -0.3574 0.1890 C.2 1 UNL111 0.6326 9 O -1.1662 -1.5391 0.1277 O.2 1 UNL111 -0.4141 10 C -2.0571 0.7251 0.3066 C.3 1 UNL111 -0.3635 11 C -3.4390 0.1208 0.4937 C.3 1 UNL111 -0.0913 12 C -4.5957 1.1635 0.4830 C.3 1 UNL111 -0.2898 13 C -5.2085 0.4737 -0.7642 C.3 1 UNL111 -0.2745 14 C -4.0465 -0.5517 -0.7728 C.3 1 UNL111 -0.2751 15 H 7.1622 1.0279 -0.2414 H 1 UNL111 0.1397 16 H 6.5150 -0.3805 0.6058 H 1 UNL111 0.1463 17 H 6.4357 -0.2964 -1.1573 H 1 UNL111 0.1455 18 H 4.9427 1.6119 0.7647 H 1 UNL111 0.1338 19 H 4.8514 1.6761 -0.9984 H 1 UNL111 0.1337 20 H 3.9024 -0.6903 -1.0312 H 1 UNL111 0.1524 21 H 3.9976 -0.7533 0.7266 H 1 UNL111 0.1567 22 H 2.4580 1.3289 0.8369 H 1 UNL111 0.1785 23 H 2.2954 1.2597 -0.9185 H 1 UNL111 0.1784 24 H -1.8079 1.4015 1.1537 H 1 UNL111 0.1812 25 H -2.0219 1.3731 -0.5969 H 1 UNL111 0.1834 26 H -3.4611 -0.5420 1.3770 H 1 UNL111 0.1496 27 H -5.2289 1.1398 1.3722 H 1 UNL111 0.1404 28 H -4.2830 2.1961 0.3189 H 1 UNL111 0.1377 29 H -6.1961 0.0367 -0.6010 H 1 UNL111 0.1383 30 H -5.2626 1.1077 -1.6513 H 1 UNL111 0.1364 31 H -3.4113 -0.5173 -1.6600 H 1 UNL111 0.1435 32 H -4.3486 -1.5917 -0.6224 H 1 UNL111 0.1491 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 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 12 13 1 13 13 14 1 14 11 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 4 22 1 23 4 23 1 24 10 24 1 25 10 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