@MOLECULE (4r,5e,7r,8r,10s)-4,7,8-trihydroxy-10-nonyl-3,4,7,8,9,10-hexahydro-2h-oxecin-2-one 55 55 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5552 -0.6067 -0.1881 O.3 1 UNL1111111111 -0.4375 2 O 3.1339 3.5176 0.0423 O.3 1 UNL1111111111 -0.5639 3 O 5.2938 2.0932 0.7785 O.3 1 UNL1111111111 -0.5798 4 O 4.6694 -2.7493 0.2575 O.3 1 UNL1111111111 -0.5455 5 O 2.2528 -1.9713 -1.8427 O.2 1 UNL1111111111 -0.5250 6 C 1.4013 0.5094 -1.0889 C.3 1 UNL1111111111 0.1435 7 C -0.0277 0.4681 -1.6327 C.3 1 UNL1111111111 -0.3204 8 C 1.6969 1.7088 -0.1877 C.3 1 UNL1111111111 -0.3481 9 C -1.0767 0.5090 -0.5171 C.3 1 UNL1111111111 -0.2625 10 C -2.4827 0.2884 -1.0860 C.3 1 UNL1111111111 -0.2744 11 C 3.1749 2.1229 -0.2053 C.3 1 UNL1111111111 0.1462 12 C -3.5305 0.3373 0.0334 C.3 1 UNL1111111111 -0.2721 13 C -4.9381 0.1123 -0.5325 C.3 1 UNL1111111111 -0.2726 14 C 4.0311 1.4487 0.9059 C.3 1 UNL1111111111 0.0871 15 C -5.9853 0.1510 0.5875 C.3 1 UNL1111111111 -0.2751 16 C -7.3920 -0.0812 0.0228 C.3 1 UNL1111111111 -0.2721 17 C 4.1739 -0.0191 0.6814 C.2 1 UNL1111111111 -0.2112 18 C 2.0186 -1.7709 -0.6771 C.2 1 UNL1111111111 0.6157 19 C 2.2473 -2.7429 0.4494 C.3 1 UNL1111111111 -0.4180 20 C 3.6046 -2.4082 1.1106 C.3 1 UNL1111111111 0.1732 21 C -8.4401 -0.0535 1.1433 C.3 1 UNL1111111111 -0.2511 22 C 3.6075 -0.9406 1.4605 C.2 1 UNL1111111111 -0.1831 23 C -9.8443 -0.2785 0.5831 C.3 1 UNL1111111111 -0.4396 24 H 2.1394 0.4132 -1.9180 H 1 UNL1111111111 0.1442 25 H -0.1822 1.3050 -2.3405 H 1 UNL1111111111 0.1529 26 H -0.1545 -0.4584 -2.2320 H 1 UNL1111111111 0.1595 27 H 1.3665 1.4933 0.8494 H 1 UNL1111111111 0.1707 28 H 1.0854 2.5855 -0.5001 H 1 UNL1111111111 0.1863 29 H -1.0330 1.4762 0.0177 H 1 UNL1111111111 0.1388 30 H -0.8467 -0.2645 0.2419 H 1 UNL1111111111 0.1449 31 H -2.5333 -0.6844 -1.6102 H 1 UNL1111111111 0.1376 32 H -2.7114 1.0561 -1.8489 H 1 UNL1111111111 0.1382 33 H 3.6478 1.9741 -1.2016 H 1 UNL1111111111 0.1325 34 H -3.4832 1.3114 0.5550 H 1 UNL1111111111 0.1368 35 H -3.3030 -0.4283 0.7985 H 1 UNL1111111111 0.1352 36 H -5.1691 0.8816 -1.2928 H 1 UNL1111111111 0.1371 37 H -4.9842 -0.8590 -1.0598 H 1 UNL1111111111 0.1371 38 H 3.6439 1.7169 1.9154 H 1 UNL1111111111 0.1401 39 H -5.7524 -0.6153 1.3505 H 1 UNL1111111111 0.1357 40 H -5.9439 1.1237 1.1121 H 1 UNL1111111111 0.1364 41 H -7.6296 0.6894 -0.7341 H 1 UNL1111111111 0.1370 42 H -7.4332 -1.0499 -0.5093 H 1 UNL1111111111 0.1367 43 H 4.7637 -0.2814 -0.2005 H 1 UNL1111111111 0.1673 44 H 1.4251 -2.7001 1.1894 H 1 UNL1111111111 0.1853 45 H 2.2651 -3.7810 0.0546 H 1 UNL1111111111 0.1918 46 H 3.8020 -3.0519 2.0005 H 1 UNL1111111111 0.1560 47 H -8.2065 -0.8266 1.8994 H 1 UNL1111111111 0.1332 48 H -8.3980 0.9148 1.6771 H 1 UNL1111111111 0.1337 49 H 4.0384 3.8513 0.2316 H 1 UNL1111111111 0.3382 50 H 3.0482 -0.6946 2.3612 H 1 UNL1111111111 0.1563 51 H 6.0052 1.5421 1.1589 H 1 UNL1111111111 0.3316 52 H -10.1145 0.4956 -0.1439 H 1 UNL1111111111 0.1426 53 H -9.9235 -1.2472 0.0772 H 1 UNL1111111111 0.1424 54 H -10.5972 -0.2602 1.3787 H 1 UNL1111111111 0.1403 55 H 4.4767 -2.5190 -0.6781 H 1 UNL1111111111 0.3301 @BOND 1 1 6 1 2 1 18 1 3 2 11 1 4 2 49 1 5 3 14 1 6 3 51 1 7 4 20 1 8 4 55 1 9 5 18 2 10 6 7 1 11 6 8 1 12 6 24 1 13 7 9 1 14 7 25 1 15 7 26 1 16 8 11 1 17 8 27 1 18 8 28 1 19 9 10 1 20 9 29 1 21 9 30 1 22 10 12 1 23 10 31 1 24 10 32 1 25 11 14 1 26 11 33 1 27 12 13 1 28 12 34 1 29 12 35 1 30 13 15 1 31 13 36 1 32 13 37 1 33 14 17 1 34 14 38 1 35 15 16 1 36 15 39 1 37 15 40 1 38 16 21 1 39 16 41 1 40 16 42 1 41 17 22 2 42 17 43 1 43 18 19 1 44 19 20 1 45 19 44 1 46 19 45 1 47 20 22 1 48 20 46 1 49 21 23 1 50 21 47 1 51 21 48 1 52 22 50 1 53 23 52 1 54 23 53 1 55 23 54 1