@MOLECULE 3-hydroxy-2-octadecanone 56 55 0 0 0 SMALL GASTEIGER @ATOM 1 O 7.0460 0.8643 0.7954 O.3 1 UNL1111111111 -0.5285 2 O 8.3911 -0.5450 -1.0722 O.2 1 UNL1111111111 -0.4481 3 C -1.9793 1.5764 -0.1750 C.3 1 UNL1111111111 -0.2701 4 C -0.6623 1.5339 0.6103 C.3 1 UNL1111111111 -0.2737 5 C -3.1070 2.1562 0.6890 C.3 1 UNL1111111111 -0.2717 6 C 0.4646 0.9423 -0.2464 C.3 1 UNL1111111111 -0.2726 7 C -4.4387 2.2065 -0.0722 C.3 1 UNL1111111111 -0.2728 8 C 1.7748 0.8923 0.5490 C.3 1 UNL1111111111 -0.2735 9 C -5.0503 0.8095 -0.2396 C.3 1 UNL1111111111 -0.2669 10 C 2.9094 0.3082 -0.3021 C.3 1 UNL1111111111 -0.2741 11 C -6.3907 0.8882 -0.9815 C.3 1 UNL1111111111 -0.2733 12 C 4.1999 0.2153 0.5202 C.3 1 UNL1111111111 -0.2595 13 C -7.0093 -0.5018 -1.1833 C.3 1 UNL1111111111 -0.2738 14 C 5.3202 -0.4285 -0.3021 C.3 1 UNL1111111111 -0.3202 15 C -7.5993 -1.0553 0.1200 C.3 1 UNL1111111111 -0.2694 16 C 6.6225 -0.4433 0.5073 C.3 1 UNL1111111111 0.0470 17 C -8.2232 -2.4385 -0.1081 C.3 1 UNL1111111111 -0.2524 18 C 7.7024 -1.1650 -0.3019 C.2 1 UNL1111111111 0.4377 19 C -8.7960 -2.9986 1.1940 C.3 1 UNL1111111111 -0.4395 20 C 7.8439 -2.6373 -0.0909 C.3 1 UNL1111111111 -0.5515 21 H -2.2484 0.5603 -0.5171 H 1 UNL1111111111 0.1374 22 H -1.8565 2.1816 -1.0920 H 1 UNL1111111111 0.1362 23 H -0.3883 2.5512 0.9458 H 1 UNL1111111111 0.1368 24 H -0.7913 0.9346 1.5308 H 1 UNL1111111111 0.1359 25 H -2.8335 3.1757 1.0218 H 1 UNL1111111111 0.1338 26 H -3.2224 1.5596 1.6131 H 1 UNL1111111111 0.1371 27 H 0.5996 1.5451 -1.1635 H 1 UNL1111111111 0.1373 28 H 0.1881 -0.0725 -0.5880 H 1 UNL1111111111 0.1353 29 H -4.2907 2.6770 -1.0631 H 1 UNL1111111111 0.1365 30 H -5.1487 2.8599 0.4699 H 1 UNL1111111111 0.1340 31 H 2.0475 1.9065 0.8955 H 1 UNL1111111111 0.1395 32 H 1.6379 0.2859 1.4634 H 1 UNL1111111111 0.1355 33 H -4.3519 0.1515 -0.7896 H 1 UNL1111111111 0.1368 34 H -5.1899 0.3374 0.7505 H 1 UNL1111111111 0.1368 35 H 2.6242 -0.6912 -0.6801 H 1 UNL1111111111 0.1342 36 H 3.0732 0.9366 -1.1985 H 1 UNL1111111111 0.1388 37 H -6.2431 1.3730 -1.9653 H 1 UNL1111111111 0.1341 38 H -7.0934 1.5395 -0.4293 H 1 UNL1111111111 0.1367 39 H 4.0215 -0.3637 1.4461 H 1 UNL1111111111 0.1356 40 H 4.5159 1.2247 0.8561 H 1 UNL1111111111 0.1573 41 H -6.2500 -1.1997 -1.5826 H 1 UNL1111111111 0.1369 42 H -7.8006 -0.4456 -1.9551 H 1 UNL1111111111 0.1335 43 H 5.4688 0.1367 -1.2439 H 1 UNL1111111111 0.1564 44 H 5.0355 -1.4539 -0.6015 H 1 UNL1111111111 0.1434 45 H -8.3594 -0.3582 0.5184 H 1 UNL1111111111 0.1360 46 H -6.8142 -1.1196 0.8961 H 1 UNL1111111111 0.1376 47 H 6.4860 -0.8855 1.5196 H 1 UNL1111111111 0.1577 48 H -7.4649 -3.1327 -0.5167 H 1 UNL1111111111 0.1332 49 H -9.0188 -2.3736 -0.8740 H 1 UNL1111111111 0.1329 50 H -8.0191 -3.1070 1.9589 H 1 UNL1111111111 0.1423 51 H -9.5730 -2.3436 1.6036 H 1 UNL1111111111 0.1423 52 H -9.2453 -3.9854 1.0385 H 1 UNL1111111111 0.1396 53 H 7.4265 1.2910 -0.0083 H 1 UNL1111111111 0.3314 54 H 6.8767 -3.1490 -0.0196 H 1 UNL1111111111 0.1711 55 H 8.3981 -2.8445 0.8377 H 1 UNL1111111111 0.1828 56 H 8.4129 -3.1078 -0.9086 H 1 UNL1111111111 0.1844 @BOND 1 1 16 1 2 1 53 1 3 2 18 2 4 3 4 1 5 3 5 1 6 3 21 1 7 3 22 1 8 4 6 1 9 4 23 1 10 4 24 1 11 5 7 1 12 5 25 1 13 5 26 1 14 6 8 1 15 6 27 1 16 6 28 1 17 7 9 1 18 7 29 1 19 7 30 1 20 8 10 1 21 8 31 1 22 8 32 1 23 9 11 1 24 9 33 1 25 9 34 1 26 10 12 1 27 10 35 1 28 10 36 1 29 11 13 1 30 11 37 1 31 11 38 1 32 12 14 1 33 12 39 1 34 12 40 1 35 13 15 1 36 13 41 1 37 13 42 1 38 14 16 1 39 14 43 1 40 14 44 1 41 15 17 1 42 15 45 1 43 15 46 1 44 16 18 1 45 16 47 1 46 17 19 1 47 17 48 1 48 17 49 1 49 18 20 1 50 19 50 1 51 19 51 1 52 19 52 1 53 20 54 1 54 20 55 1 55 20 56 1