@MOLECULE (2r)-2,3-dihydroxypropyl (9z)-9-octadecenoate 65 64 0 0 0 SMALL GASTEIGER @ATOM 1 C 12.2786 -3.5885 -0.3611 C.3 1 UNL1111111111 -0.4397 2 C 4.7272 3.0005 0.2617 C.2 1 UNL1111111111 -0.1641 3 C 3.6098 3.1976 -0.4435 C.2 1 UNL1111111111 -0.1687 4 C 10.8550 -3.3526 0.1441 C.3 1 UNL1111111111 -0.2512 5 C 5.2257 1.6849 0.7628 C.3 1 UNL1111111111 -0.2785 6 C 2.6388 2.1421 -0.8620 C.3 1 UNL1111111111 -0.2776 7 C -10.3760 -1.5716 0.5959 C.3 1 UNL1111111111 -0.0243 8 C 10.3990 -1.9187 -0.1575 C.3 1 UNL1111111111 -0.2724 9 C 6.6157 1.3976 0.1729 C.3 1 UNL1111111111 -0.2644 10 C 1.2582 2.4403 -0.2571 C.3 1 UNL1111111111 -0.2647 11 C 8.9765 -1.6781 0.3635 C.3 1 UNL1111111111 -0.2748 12 C 7.1039 0.0027 0.5803 C.3 1 UNL1111111111 -0.2721 13 C 0.2413 1.3592 -0.6415 C.3 1 UNL1111111111 -0.2758 14 C 8.5115 -0.2556 0.0275 C.3 1 UNL1111111111 -0.2714 15 C -1.1392 1.7123 -0.0750 C.3 1 UNL1111111111 -0.2689 16 C -2.1771 0.6451 -0.4434 C.3 1 UNL1111111111 -0.2702 17 C -3.5493 1.0400 0.1119 C.3 1 UNL1111111111 -0.2566 18 C -4.6050 -0.0119 -0.2383 C.3 1 UNL1111111111 -0.3511 19 C -8.2081 -0.2632 0.4097 C.3 1 UNL1111111111 -0.0760 20 C -5.9266 0.3884 0.3382 C.2 1 UNL1111111111 0.6128 21 C -8.9768 -1.5091 -0.0393 C.3 1 UNL1111111111 0.0791 22 O -6.1919 1.3223 1.0463 O.2 1 UNL1111111111 -0.4974 23 O -10.9365 -2.8443 0.3666 O.3 1 UNL1111111111 -0.5345 24 O -9.2365 -1.4366 -1.4304 O.3 1 UNL1111111111 -0.5672 25 O -6.8778 -0.5038 -0.0583 O.3 1 UNL1111111111 -0.4609 26 H 12.9914 -2.9088 0.1189 H 1 UNL1111111111 0.1424 27 H 12.6094 -4.6121 -0.1543 H 1 UNL1111111111 0.1401 28 H 12.3505 -3.4313 -1.4431 H 1 UNL1111111111 0.1424 29 H 5.3733 3.8422 0.5181 H 1 UNL1111111111 0.1413 30 H 3.3316 4.2027 -0.7658 H 1 UNL1111111111 0.1410 31 H 10.1632 -4.0769 -0.3255 H 1 UNL1111111111 0.1334 32 H 10.8031 -3.5454 1.2323 H 1 UNL1111111111 0.1336 33 H 5.2767 1.7007 1.8712 H 1 UNL1111111111 0.1459 34 H 4.5327 0.8569 0.5147 H 1 UNL1111111111 0.1438 35 H 2.5735 2.1122 -1.9694 H 1 UNL1111111111 0.1454 36 H 2.9710 1.1287 -0.5620 H 1 UNL1111111111 0.1442 37 H -10.3437 -1.4941 1.6976 H 1 UNL1111111111 0.1462 38 H -11.0455 -0.7979 0.1755 H 1 UNL1111111111 0.1367 39 H 11.0989 -1.1957 0.3010 H 1 UNL1111111111 0.1366 40 H 10.4413 -1.7309 -1.2464 H 1 UNL1111111111 0.1366 41 H 6.5763 1.4788 -0.9301 H 1 UNL1111111111 0.1410 42 H 7.3357 2.1668 0.5082 H 1 UNL1111111111 0.1372 43 H 1.3418 2.5089 0.8444 H 1 UNL1111111111 0.1417 44 H 0.9046 3.4324 -0.5954 H 1 UNL1111111111 0.1380 45 H 8.2822 -2.4180 -0.0764 H 1 UNL1111111111 0.1361 46 H 8.9410 -1.8408 1.4566 H 1 UNL1111111111 0.1361 47 H 7.1060 -0.0942 1.6818 H 1 UNL1111111111 0.1366 48 H 6.4031 -0.7676 0.2081 H 1 UNL1111111111 0.1363 49 H 0.1883 1.2585 -1.7412 H 1 UNL1111111111 0.1365 50 H 0.5703 0.3743 -0.2619 H 1 UNL1111111111 0.1365 51 H 9.2219 0.4836 0.4423 H 1 UNL1111111111 0.1366 52 H 8.5222 -0.1048 -1.0682 H 1 UNL1111111111 0.1371 53 H -1.0793 1.8184 1.0250 H 1 UNL1111111111 0.1399 54 H -1.4609 2.7004 -0.4562 H 1 UNL1111111111 0.1394 55 H -2.2262 0.5262 -1.5418 H 1 UNL1111111111 0.1377 56 H -1.8678 -0.3385 -0.0435 H 1 UNL1111111111 0.1378 57 H -3.4956 1.1725 1.2118 H 1 UNL1111111111 0.1551 58 H -3.8539 2.0302 -0.2832 H 1 UNL1111111111 0.1529 59 H -4.6868 -0.1396 -1.3390 H 1 UNL1111111111 0.1785 60 H -4.3121 -1.0116 0.1501 H 1 UNL1111111111 0.1800 61 H -8.5823 0.6603 -0.0682 H 1 UNL1111111111 0.1534 62 H -8.1968 -0.1316 1.5057 H 1 UNL1111111111 0.1497 63 H -8.3977 -2.4410 0.1569 H 1 UNL1111111111 0.1492 64 H -10.9504 -3.0267 -0.6003 H 1 UNL1111111111 0.3278 65 H -8.3987 -1.3193 -1.9235 H 1 UNL1111111111 0.3305 @BOND 1 1 4 1 2 1 26 1 3 1 27 1 4 1 28 1 5 2 3 2 6 2 5 1 7 2 29 1 8 3 6 1 9 3 30 1 10 4 8 1 11 4 31 1 12 4 32 1 13 5 9 1 14 5 33 1 15 5 34 1 16 6 10 1 17 6 35 1 18 6 36 1 19 7 21 1 20 7 23 1 21 7 37 1 22 7 38 1 23 8 11 1 24 8 39 1 25 8 40 1 26 9 12 1 27 9 41 1 28 9 42 1 29 10 13 1 30 10 43 1 31 10 44 1 32 11 14 1 33 11 45 1 34 11 46 1 35 12 14 1 36 12 47 1 37 12 48 1 38 13 15 1 39 13 49 1 40 13 50 1 41 14 51 1 42 14 52 1 43 15 16 1 44 15 53 1 45 15 54 1 46 16 17 1 47 16 55 1 48 16 56 1 49 17 18 1 50 17 57 1 51 17 58 1 52 18 20 1 53 18 59 1 54 18 60 1 55 19 21 1 56 19 25 1 57 19 61 1 58 19 62 1 59 20 22 2 60 20 25 1 61 21 24 1 62 21 63 1 63 23 64 1 64 24 65 1