@MOLECULE [2-[(1S)-2,2-dimethylcyclobutyl]acetyl] 3-methylbutanoate 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.6108 0.1980 -0.0088 C.3 1 UNL11111111 -0.0409 2 C 4.6053 -0.9573 -1.0133 C.3 1 UNL11111111 -0.4597 3 C 5.7095 1.2063 -0.3588 C.3 1 UNL11111111 -0.4567 4 C 3.2453 0.9122 -0.0007 C.3 1 UNL11111111 -0.3706 5 C 2.1939 0.0202 0.5810 C.2 1 UNL11111111 0.6453 6 O 2.2920 -0.8205 1.4232 O.2 1 UNL11111111 -0.4376 7 O 0.9770 0.3806 0.0430 O.3 1 UNL11111111 -0.5666 8 C -0.1465 -0.4218 0.1141 C.2 1 UNL11111111 0.6393 9 O -0.0711 -1.6023 0.2647 O.2 1 UNL11111111 -0.4229 10 C -1.3433 0.4510 -0.1076 C.3 1 UNL11111111 -0.3571 11 C -2.6197 -0.3129 0.1938 C.3 1 UNL11111111 -0.1268 12 H -2.5493 -0.7919 1.1890 H 1 UNL11111111 0.1534 13 C -3.9718 0.4783 0.0220 C.3 1 UNL11111111 0.0953 14 C -4.8162 0.4664 1.2867 C.3 1 UNL11111111 -0.4663 15 C -3.8554 1.8874 -0.5327 C.3 1 UNL11111111 -0.4637 16 C -4.4252 -0.5711 -1.0442 C.3 1 UNL11111111 -0.3105 17 C -3.0760 -1.3138 -0.9048 C.3 1 UNL11111111 -0.2776 18 H 4.8067 -0.2143 1.0142 H 1 UNL11111111 0.1514 19 H 5.5727 -1.4723 -1.0299 H 1 UNL11111111 0.1493 20 H 3.8473 -1.7083 -0.7532 H 1 UNL11111111 0.1581 21 H 4.3979 -0.6140 -2.0317 H 1 UNL11111111 0.1447 22 H 5.5428 1.6640 -1.3397 H 1 UNL11111111 0.1454 23 H 5.7696 2.0124 0.3800 H 1 UNL11111111 0.1428 24 H 6.6923 0.7210 -0.3901 H 1 UNL11111111 0.1495 25 H 3.2972 1.8455 0.6003 H 1 UNL11111111 0.1771 26 H 2.9700 1.2385 -1.0256 H 1 UNL11111111 0.1812 27 H -1.2762 1.3611 0.5294 H 1 UNL11111111 0.1827 28 H -1.3334 0.8298 -1.1536 H 1 UNL11111111 0.1833 29 H -4.3717 1.0914 2.0698 H 1 UNL11111111 0.1487 30 H -5.8263 0.8462 1.0949 H 1 UNL11111111 0.1465 31 H -4.9238 -0.5454 1.6960 H 1 UNL11111111 0.1512 32 H -3.3018 1.9140 -1.4779 H 1 UNL11111111 0.1462 33 H -4.8473 2.3121 -0.7319 H 1 UNL11111111 0.1487 34 H -3.3499 2.5581 0.1711 H 1 UNL11111111 0.1467 35 H -5.2989 -1.1580 -0.7547 H 1 UNL11111111 0.1411 36 H -4.6172 -0.1562 -2.0349 H 1 UNL11111111 0.1390 37 H -2.4608 -1.3125 -1.8073 H 1 UNL11111111 0.1416 38 H -3.1524 -2.3492 -0.5607 H 1 UNL11111111 0.1484 @BOND 1 1 2 1 2 1 3 1 3 1 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 11 13 1 13 13 14 1 14 13 15 1 15 13 16 1 16 16 17 1 17 11 17 1 18 1 18 1 19 2 19 1 20 2 20 1 21 2 21 1 22 3 22 1 23 3 23 1 24 3 24 1 25 4 25 1 26 4 26 1 27 10 27 1 28 10 28 1 29 14 29 1 30 14 30 1 31 14 31 1 32 15 32 1 33 15 33 1 34 15 34 1 35 16 35 1 36 16 36 1 37 17 37 1 38 17 38 1