@MOLECULE pentadecanolide 45 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3361 -1.1920 -0.0034 O.3 1 UNL1111111111 -0.4376 2 O -0.9367 -1.6032 1.7074 O.2 1 UNL1111111111 -0.5215 3 C 2.4945 1.3182 0.2999 C.3 1 UNL1111111111 -0.2690 4 C 1.6056 2.3107 1.0624 C.3 1 UNL1111111111 -0.2714 5 C 2.4801 -0.0578 0.9760 C.3 1 UNL1111111111 -0.2747 6 C 1.0528 3.4152 0.1492 C.3 1 UNL1111111111 -0.2699 7 C 3.2134 -1.1197 0.1469 C.3 1 UNL1111111111 -0.2667 8 C 0.0309 2.8829 -0.8666 C.3 1 UNL1111111111 -0.2698 9 C 2.6068 -1.3716 -1.2431 C.3 1 UNL1111111111 -0.2641 10 C -1.2805 2.4562 -0.1937 C.3 1 UNL1111111111 -0.2721 11 C 1.0880 -1.5875 -1.2403 C.3 1 UNL1111111111 -0.2734 12 C -2.0724 1.4993 -1.0930 C.3 1 UNL1111111111 -0.2652 13 C 0.6906 -2.8385 -0.4482 C.3 1 UNL1111111111 -0.2505 14 C -3.2990 0.9219 -0.3765 C.3 1 UNL1111111111 -0.2952 15 C -0.8330 -2.9481 -0.3168 C.3 1 UNL1111111111 -0.3518 16 C -2.9075 -0.0852 0.7046 C.3 1 UNL1111111111 -0.0166 17 C -1.3288 -1.8684 0.6002 C.2 1 UNL1111111111 0.6153 18 H 3.5274 1.7021 0.2316 H 1 UNL1111111111 0.1310 19 H 2.1452 1.2198 -0.7457 H 1 UNL1111111111 0.1396 20 H 0.7645 1.7745 1.5447 H 1 UNL1111111111 0.1431 21 H 2.1784 2.7635 1.8926 H 1 UNL1111111111 0.1320 22 H 1.4351 -0.3830 1.1604 H 1 UNL1111111111 0.1532 23 H 2.9426 0.0128 1.9787 H 1 UNL1111111111 0.1341 24 H 0.5863 4.2059 0.7662 H 1 UNL1111111111 0.1330 25 H 1.8870 3.9046 -0.3874 H 1 UNL1111111111 0.1327 26 H 3.2299 -2.0686 0.7184 H 1 UNL1111111111 0.1327 27 H 4.2741 -0.8260 0.0267 H 1 UNL1111111111 0.1305 28 H -0.1741 3.6547 -1.6308 H 1 UNL1111111111 0.1302 29 H 0.4688 2.0278 -1.4178 H 1 UNL1111111111 0.1386 30 H 3.1052 -2.2486 -1.6993 H 1 UNL1111111111 0.1304 31 H 2.8450 -0.5162 -1.9057 H 1 UNL1111111111 0.1333 32 H -1.0610 1.9630 0.7741 H 1 UNL1111111111 0.1441 33 H -1.8876 3.3442 0.0555 H 1 UNL1111111111 0.1330 34 H 0.7238 -1.6683 -2.2820 H 1 UNL1111111111 0.1327 35 H 0.5855 -0.6934 -0.8189 H 1 UNL1111111111 0.1484 36 H -2.3885 2.0252 -2.0131 H 1 UNL1111111111 0.1344 37 H -1.4215 0.6679 -1.4304 H 1 UNL1111111111 0.1464 38 H 1.1510 -2.8119 0.5623 H 1 UNL1111111111 0.1619 39 H 1.0927 -3.7434 -0.9405 H 1 UNL1111111111 0.1410 40 H -3.9010 1.7326 0.0754 H 1 UNL1111111111 0.1447 41 H -3.9575 0.4267 -1.1184 H 1 UNL1111111111 0.1493 42 H -1.1178 -3.9359 0.1027 H 1 UNL1111111111 0.1725 43 H -1.3206 -2.8867 -1.3122 H 1 UNL1111111111 0.1754 44 H -2.1839 0.3301 1.4297 H 1 UNL1111111111 0.1478 45 H -3.7798 -0.4889 1.2466 H 1 UNL1111111111 0.1275 @BOND 1 1 16 1 2 1 17 1 3 2 17 2 4 3 4 1 5 3 5 1 6 3 18 1 7 3 19 1 8 4 6 1 9 4 20 1 10 4 21 1 11 5 7 1 12 5 22 1 13 5 23 1 14 6 8 1 15 6 24 1 16 6 25 1 17 7 9 1 18 7 26 1 19 7 27 1 20 8 10 1 21 8 28 1 22 8 29 1 23 9 11 1 24 9 30 1 25 9 31 1 26 10 12 1 27 10 32 1 28 10 33 1 29 11 13 1 30 11 34 1 31 11 35 1 32 12 14 1 33 12 36 1 34 12 37 1 35 13 15 1 36 13 38 1 37 13 39 1 38 14 16 1 39 14 40 1 40 14 41 1 41 15 17 1 42 15 42 1 43 15 43 1 44 16 44 1 45 16 45 1