@MOLECULE 3,3-dimethylhexanoyl (1S,2S)-2-methylcyclopropanecarboxylate 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.6496 0.3459 -0.3739 C.3 1 UNL11111111 0.2863 2 H 4.6509 -0.5711 -0.9823 H 1 UNL11111111 0.2409 3 C 5.3170 1.5046 -1.0584 C.3 1 UNL11111111 -1.2388 4 C 4.7303 0.1961 1.1232 C.3 1 UNL11111111 -0.7625 5 C 3.4177 0.6161 0.4902 C.3 1 UNL11111111 -0.3007 6 H 3.0706 1.6503 0.6100 H 1 UNL11111111 0.2564 7 C 2.3270 -0.3806 0.4371 C.2 1 UNL11111111 0.6427 8 O 2.3818 -1.5647 0.5954 O.2 1 UNL11111111 -0.5220 9 O 1.1361 0.2777 0.2261 O.3 1 UNL11111111 -0.6011 10 C 0.0207 -0.3527 -0.3005 C.2 1 UNL11111111 0.8251 11 O 0.1176 -1.3764 -0.9059 O.2 1 UNL11111111 -0.3201 12 C -1.1519 0.5356 -0.0355 C.3 1 UNL11111111 -0.8525 13 C -2.5190 -0.1907 -0.1607 C.3 1 UNL11111111 0.3914 14 C -2.7316 -0.6499 -1.6065 C.3 1 UNL11111111 -0.6635 15 C -2.5447 -1.3940 0.7877 C.3 1 UNL11111111 -0.5644 16 C -3.5982 0.8461 0.2427 C.3 1 UNL11111111 -0.6845 17 C -5.0327 0.3092 0.1573 C.3 1 UNL11111111 0.1200 18 C -6.0402 1.4126 0.4841 C.3 1 UNL11111111 -0.8559 19 H 6.3521 1.2571 -1.3342 H 1 UNL11111111 0.3283 20 H 4.7877 1.7778 -1.9823 H 1 UNL11111111 0.3217 21 H 5.3570 2.4033 -0.4302 H 1 UNL11111111 0.3717 22 H 4.8148 -0.8003 1.5593 H 1 UNL11111111 0.2666 23 H 5.2851 0.9144 1.7203 H 1 UNL11111111 0.3155 24 H -1.0582 0.9871 0.9771 H 1 UNL11111111 0.2999 25 H -1.1130 1.3934 -0.7422 H 1 UNL11111111 0.3352 26 H -1.9273 -1.3222 -1.9388 H 1 UNL11111111 0.2203 27 H -3.6670 -1.2096 -1.7155 H 1 UNL11111111 0.1672 28 H -2.7674 0.1934 -2.3020 H 1 UNL11111111 0.2142 29 H -2.3794 -1.0966 1.8278 H 1 UNL11111111 0.1561 30 H -3.5048 -1.9195 0.7432 H 1 UNL11111111 0.2269 31 H -1.7720 -2.1297 0.5234 H 1 UNL11111111 0.0598 32 H -3.4054 1.1950 1.2750 H 1 UNL11111111 0.2495 33 H -3.5063 1.7403 -0.4027 H 1 UNL11111111 0.2088 34 H -5.2349 -0.0928 -0.8534 H 1 UNL11111111 0.0858 35 H -5.1653 -0.5397 0.8544 H 1 UNL11111111 0.0775 36 H -7.0674 1.0328 0.4524 H 1 UNL11111111 0.2175 37 H -5.8733 1.8252 1.4850 H 1 UNL11111111 0.2374 38 H -5.9746 2.2410 -0.2301 H 1 UNL11111111 0.2431 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 5 1 7 5 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 2 12 10 12 1 13 12 13 1 14 13 14 1 15 13 15 1 16 13 16 1 17 16 17 1 18 17 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 12 24 1 25 12 25 1 26 14 26 1 27 14 27 1 28 14 28 1 29 15 29 1 30 15 30 1 31 15 31 1 32 16 32 1 33 16 33 1 34 17 34 1 35 17 35 1 36 18 36 1 37 18 37 1 38 18 38 1