@MOLECULE ethyl laurate 44 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.7937 -0.4739 -0.0183 O.3 1 UNL1111 -0.4461 2 O -4.7820 1.5277 -0.0147 O.2 1 UNL1111 -0.5144 3 C 2.8261 0.4321 0.0764 C.3 1 UNL1111 -0.2718 4 C 1.5747 -0.4546 0.0976 C.3 1 UNL1111 -0.2759 5 C 4.0952 -0.4294 0.0759 C.3 1 UNL1111 -0.2731 6 C 0.3030 0.3996 0.0298 C.3 1 UNL1111 -0.2698 7 C 5.3502 0.4496 0.0099 C.3 1 UNL1111 -0.2743 8 C -0.9462 -0.4902 0.0654 C.3 1 UNL1111 -0.2701 9 C 6.6143 -0.4174 -0.0472 C.3 1 UNL1111 -0.2723 10 C -2.2157 0.3656 0.0050 C.3 1 UNL1111 -0.2536 11 C 7.8745 0.4583 -0.0587 C.3 1 UNL1111 -0.2509 12 C -3.4639 -0.5191 0.0610 C.3 1 UNL1111 -0.3519 13 C 9.1364 -0.4026 -0.1125 C.3 1 UNL1111 -0.4398 14 C -4.6989 0.3269 0.0058 C.2 1 UNL1111 0.6072 15 C -7.0661 0.1897 -0.0697 C.3 1 UNL1111 0.0107 16 C -8.0769 -0.9452 -0.0863 C.3 1 UNL1111 -0.4625 17 H 2.8269 1.1099 0.9501 H 1 UNL1111 0.1371 18 H 2.8120 1.0865 -0.8150 H 1 UNL1111 0.1375 19 H 1.5996 -1.1636 -0.7514 H 1 UNL1111 0.1360 20 H 1.5675 -1.0762 1.0120 H 1 UNL1111 0.1358 21 H 4.0779 -1.1282 -0.7812 H 1 UNL1111 0.1364 22 H 4.1238 -1.0617 0.9827 H 1 UNL1111 0.1361 23 H 0.3070 1.0122 -0.8915 H 1 UNL1111 0.1389 24 H 0.2831 1.1171 0.8711 H 1 UNL1111 0.1391 25 H 5.3056 1.1114 -0.8748 H 1 UNL1111 0.1367 26 H 5.3883 1.1206 0.8883 H 1 UNL1111 0.1366 27 H -0.9256 -1.2034 -0.7800 H 1 UNL1111 0.1369 28 H -0.9434 -1.1061 0.9842 H 1 UNL1111 0.1370 29 H 6.5935 -1.0596 -0.9465 H 1 UNL1111 0.1362 30 H 6.6420 -1.1078 0.8166 H 1 UNL1111 0.1365 31 H -2.2310 1.0967 0.8384 H 1 UNL1111 0.1542 32 H -2.2253 0.9802 -0.9173 H 1 UNL1111 0.1525 33 H 7.8952 1.1031 0.8401 H 1 UNL1111 0.1337 34 H 7.8481 1.1466 -0.9243 H 1 UNL1111 0.1337 35 H -3.4686 -1.2515 -0.7745 H 1 UNL1111 0.1771 36 H -3.4724 -1.1339 0.9868 H 1 UNL1111 0.1771 37 H 9.1580 -1.0265 -1.0128 H 1 UNL1111 0.1422 38 H 9.2023 -1.0707 0.7531 H 1 UNL1111 0.1422 39 H 10.0396 0.2174 -0.1195 H 1 UNL1111 0.1402 40 H -7.0991 0.8115 -0.9819 H 1 UNL1111 0.1335 41 H -7.1583 0.8385 0.8189 H 1 UNL1111 0.1334 42 H -7.9184 -1.6076 -0.9476 H 1 UNL1111 0.1592 43 H -7.9919 -1.5686 0.8135 H 1 UNL1111 0.1589 44 H -9.1018 -0.5609 -0.1376 H 1 UNL1111 0.1538 @BOND 1 1 14 1 2 1 15 1 3 2 14 2 4 3 4 1 5 3 5 1 6 3 17 1 7 3 18 1 8 4 6 1 9 4 19 1 10 4 20 1 11 5 7 1 12 5 21 1 13 5 22 1 14 6 8 1 15 6 23 1 16 6 24 1 17 7 9 1 18 7 25 1 19 7 26 1 20 8 10 1 21 8 27 1 22 8 28 1 23 9 11 1 24 9 29 1 25 9 30 1 26 10 12 1 27 10 31 1 28 10 32 1 29 11 13 1 30 11 33 1 31 11 34 1 32 12 14 1 33 12 35 1 34 12 36 1 35 13 37 1 36 13 38 1 37 13 39 1 38 15 16 1 39 15 40 1 40 15 41 1 41 16 42 1 42 16 43 1 43 16 44 1