@MOLECULE (3s,4r)-3-[(1s)-1-hydroxyhexyl]-4-(hydroxymethyl)dihydro-2(3h)-furanone 35 35 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0773 -1.4923 0.0918 O.3 1 UNL1111111111 -0.3783 2 O 0.2056 -1.2246 -1.2959 O.3 1 UNL1111111111 -0.5576 3 O -3.7309 2.6831 -0.0127 O.3 1 UNL1111111111 -0.5359 4 O -1.2059 -2.4804 0.7752 O.2 1 UNL1111111111 -0.4691 5 C -1.1793 -0.0729 0.3291 C.3 1 UNL1111111111 -0.3051 6 C -2.3083 0.7561 -0.3041 C.3 1 UNL1111111111 -0.2004 7 C 0.1291 -0.0711 -0.5020 C.3 1 UNL1111111111 0.1766 8 C -3.5199 -0.1994 -0.3348 C.3 1 UNL1111111111 -0.0369 9 C 1.3602 0.0457 0.4080 C.3 1 UNL1111111111 -0.3404 10 C -1.7557 -1.4722 0.4289 C.2 1 UNL1111111111 0.6132 11 C -2.6123 2.0122 0.5216 C.3 1 UNL1111111111 -0.0129 12 C 2.6309 0.1283 -0.4446 C.3 1 UNL1111111111 -0.2611 13 C 3.8715 0.2972 0.4395 C.3 1 UNL1111111111 -0.2753 14 C 5.1387 0.3915 -0.4210 C.3 1 UNL1111111111 -0.2515 15 C 6.3748 0.6154 0.4497 C.3 1 UNL1111111111 -0.4405 16 H -0.9621 0.2821 1.3658 H 1 UNL1111111111 0.1796 17 H -2.0461 1.0539 -1.3455 H 1 UNL1111111111 0.1601 18 H 0.1135 0.7384 -1.2692 H 1 UNL1111111111 0.1440 19 H -4.3276 0.0889 0.3601 H 1 UNL1111111111 0.1569 20 H -3.9308 -0.3526 -1.3458 H 1 UNL1111111111 0.1472 21 H 1.4176 -0.8275 1.0877 H 1 UNL1111111111 0.1585 22 H 1.2812 0.9359 1.0566 H 1 UNL1111111111 0.1447 23 H -1.7482 2.6981 0.5635 H 1 UNL1111111111 0.1195 24 H -2.9415 1.7748 1.5527 H 1 UNL1111111111 0.1508 25 H 2.7232 -0.7820 -1.0706 H 1 UNL1111111111 0.1542 26 H 2.5582 0.9701 -1.1588 H 1 UNL1111111111 0.1358 27 H 3.9578 -0.5511 1.1442 H 1 UNL1111111111 0.1400 28 H 3.7734 1.2025 1.0663 H 1 UNL1111111111 0.1332 29 H 0.3446 -2.0349 -0.7525 H 1 UNL1111111111 0.3406 30 H 5.2589 -0.5320 -1.0192 H 1 UNL1111111111 0.1378 31 H 5.0400 1.2153 -1.1529 H 1 UNL1111111111 0.1327 32 H -3.5352 3.0437 -0.9001 H 1 UNL1111111111 0.3125 33 H 6.5130 -0.2003 1.1684 H 1 UNL1111111111 0.1441 34 H 6.3002 1.5478 1.0198 H 1 UNL1111111111 0.1408 35 H 7.2838 0.6745 -0.1595 H 1 UNL1111111111 0.1422 @BOND 1 1 8 1 2 1 10 1 3 2 7 1 4 2 29 1 5 3 11 1 6 3 32 1 7 4 10 2 8 5 6 1 9 5 7 1 10 5 10 1 11 5 16 1 12 6 8 1 13 6 11 1 14 6 17 1 15 7 9 1 16 7 18 1 17 8 19 1 18 8 20 1 19 9 12 1 20 9 21 1 21 9 22 1 22 11 23 1 23 11 24 1 24 12 13 1 25 12 25 1 26 12 26 1 27 13 14 1 28 13 27 1 29 13 28 1 30 14 15 1 31 14 30 1 32 14 31 1 33 15 33 1 34 15 34 1 35 15 35 1