@MOLECULE [(3S)-3-methylhexanoyl] cyclopropanecarboxylate 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.8192 0.5166 -0.9578 C.3 1 UNL11111111 -0.3383 2 C -4.9095 0.4303 0.5389 C.3 1 UNL11111111 -0.5564 3 C -3.6009 0.8439 -0.1126 C.3 1 UNL11111111 -0.2271 4 C -2.4964 -0.1412 -0.0956 C.2 1 UNL11111111 0.3158 5 O -2.5369 -1.3220 -0.2805 O.2 1 UNL11111111 -0.2414 6 O -1.3076 0.5249 0.0997 O.3 1 UNL11111111 -0.3168 7 C -0.1815 -0.1077 0.5940 C.2 1 UNL11111111 0.4388 8 O -0.2602 -1.0886 1.2692 O.2 1 UNL11111111 -0.3091 9 C 1.0176 0.7028 0.2175 C.3 1 UNL11111111 -0.6654 10 C 2.2437 -0.2164 0.0400 C.3 1 UNL11111111 0.1340 11 H 2.3493 -0.8516 0.9559 H 1 UNL11111111 0.1770 12 C 2.0440 -1.1270 -1.1739 C.3 1 UNL11111111 -0.8293 13 C 3.5036 0.6546 -0.1153 C.3 1 UNL11111111 -0.6504 14 C 4.7843 -0.1763 0.0422 C.3 1 UNL11111111 -0.0300 15 C 6.0241 0.7137 -0.0450 C.3 1 UNL11111111 -0.8113 16 H -4.8260 -0.3993 -1.5509 H 1 UNL11111111 0.2202 17 H -5.3215 1.3167 -1.4955 H 1 UNL11111111 0.1995 18 H -5.4771 1.1682 1.1008 H 1 UNL11111111 0.2677 19 H -4.9817 -0.5467 1.0190 H 1 UNL11111111 0.2589 20 H -3.2689 1.8873 -0.0304 H 1 UNL11111111 0.2446 21 H 0.8319 1.2873 -0.7084 H 1 UNL11111111 0.2813 22 H 1.2032 1.4573 1.0123 H 1 UNL11111111 0.2678 23 H 2.9039 -1.7910 -1.3198 H 1 UNL11111111 0.2273 24 H 1.1630 -1.7716 -1.0498 H 1 UNL11111111 0.2537 25 H 1.9104 -0.5554 -2.0981 H 1 UNL11111111 0.2654 26 H 3.4996 1.1589 -1.0990 H 1 UNL11111111 0.2516 27 H 3.5005 1.4644 0.6388 H 1 UNL11111111 0.2292 28 H 4.7724 -0.7135 1.0099 H 1 UNL11111111 0.1191 29 H 4.8292 -0.9597 -0.7382 H 1 UNL11111111 0.1303 30 H 6.9429 0.1242 0.0507 H 1 UNL11111111 0.2200 31 H 6.0724 1.2424 -1.0033 H 1 UNL11111111 0.2346 32 H 6.0346 1.4681 0.7494 H 1 UNL11111111 0.2386 @BOND 1 1 2 1 2 2 3 1 3 1 3 1 4 3 4 1 5 4 5 2 6 4 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 1 12 10 12 1 13 10 13 1 14 13 14 1 15 14 15 1 16 1 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 3 20 1 21 9 21 1 22 9 22 1 23 12 23 1 24 12 24 1 25 12 25 1 26 13 26 1 27 13 27 1 28 14 28 1 29 14 29 1 30 15 30 1 31 15 31 1 32 15 32 1