@MOLECULE (2r)-2,3-dihydroxypropyl octanoate 37 36 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.1013 1.4378 0.2856 O.3 1 UNL1111111111 -0.4344 2 O 5.2485 0.1287 0.9054 O.3 1 UNL1111111111 -0.5632 3 O 1.3317 0.1981 -1.4231 O.2 1 UNL1111111111 -0.5216 4 O 4.2462 -2.4242 0.2603 O.3 1 UNL1111111111 -0.5662 5 C -2.6583 0.6568 0.2491 C.3 1 UNL1111111111 -0.2722 6 C -3.7441 -0.3050 -0.2510 C.3 1 UNL1111111111 -0.2720 7 C -1.3033 0.3036 -0.3729 C.3 1 UNL1111111111 -0.2549 8 C -5.1043 0.0475 0.3633 C.3 1 UNL1111111111 -0.2749 9 C -0.2158 1.2571 0.1306 C.3 1 UNL1111111111 -0.3494 10 C -6.1895 -0.9204 -0.1267 C.3 1 UNL1111111111 -0.2511 11 C 1.1085 0.8778 -0.4553 C.2 1 UNL1111111111 0.6153 12 C -7.5483 -0.5671 0.4780 C.3 1 UNL1111111111 -0.4399 13 C 3.9175 -0.1329 0.4974 C.3 1 UNL1111111111 0.1050 14 C 3.4453 1.1940 -0.1147 C.3 1 UNL1111111111 -0.0480 15 C 3.9091 -1.2844 -0.5190 C.3 1 UNL1111111111 -0.0662 16 H -2.9345 1.6986 -0.0002 H 1 UNL1111111111 0.1381 17 H -2.5965 0.6137 1.3529 H 1 UNL1111111111 0.1385 18 H -3.8064 -0.2673 -1.3548 H 1 UNL1111111111 0.1390 19 H -3.4739 -1.3475 0.0019 H 1 UNL1111111111 0.1386 20 H -1.0332 -0.7441 -0.1335 H 1 UNL1111111111 0.1503 21 H -1.3618 0.3432 -1.4794 H 1 UNL1111111111 0.1551 22 H -5.0432 0.0175 1.4671 H 1 UNL1111111111 0.1365 23 H -5.3814 1.0863 0.1043 H 1 UNL1111111111 0.1365 24 H -0.1675 1.2515 1.2414 H 1 UNL1111111111 0.1810 25 H -0.4537 2.3074 -0.1449 H 1 UNL1111111111 0.1780 26 H -6.2494 -0.8943 -1.2312 H 1 UNL1111111111 0.1346 27 H -5.9173 -1.9597 0.1376 H 1 UNL1111111111 0.1345 28 H -7.8596 0.4461 0.2005 H 1 UNL1111111111 0.1425 29 H -7.5250 -0.6168 1.5724 H 1 UNL1111111111 0.1426 30 H -8.3273 -1.2566 0.1339 H 1 UNL1111111111 0.1415 31 H 3.3245 -0.3972 1.4041 H 1 UNL1111111111 0.1489 32 H 3.5406 1.2316 -1.2119 H 1 UNL1111111111 0.1473 33 H 3.9898 2.0506 0.3370 H 1 UNL1111111111 0.1716 34 H 2.9151 -1.4250 -0.9806 H 1 UNL1111111111 0.1487 35 H 4.6759 -1.1486 -1.3015 H 1 UNL1111111111 0.1314 36 H 5.6815 -0.7161 1.1612 H 1 UNL1111111111 0.3381 37 H 4.1919 -3.2341 -0.2804 H 1 UNL1111111111 0.3206 @BOND 1 1 11 1 2 1 14 1 3 2 13 1 4 2 36 1 5 3 11 2 6 4 15 1 7 4 37 1 8 5 6 1 9 5 7 1 10 5 16 1 11 5 17 1 12 6 8 1 13 6 18 1 14 6 19 1 15 7 9 1 16 7 20 1 17 7 21 1 18 8 10 1 19 8 22 1 20 8 23 1 21 9 11 1 22 9 24 1 23 9 25 1 24 10 12 1 25 10 26 1 26 10 27 1 27 12 28 1 28 12 29 1 29 12 30 1 30 13 14 1 31 13 15 1 32 13 31 1 33 14 32 1 34 14 33 1 35 15 34 1 36 15 35 1