@MOLECULE cis-9-hexadecenal 47 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.4752 1.1026 -1.1382 O.2 1 UNL1111111111 -0.4343 2 C -1.5135 -0.9281 0.8137 C.3 1 UNL1111111111 -0.2747 3 C -2.8062 -0.7343 0.0113 C.3 1 UNL1111111111 -0.2694 4 C -0.5968 -1.9556 0.1407 C.3 1 UNL1111111111 -0.2605 5 C -3.7017 0.3096 0.6918 C.3 1 UNL1111111111 -0.2775 6 C 0.7037 -2.1191 0.9445 C.3 1 UNL1111111111 -0.2804 7 C 4.3585 0.6484 -0.6508 C.3 1 UNL1111111111 -0.2759 8 C 4.0216 -0.7793 -0.2047 C.3 1 UNL1111111111 -0.2614 9 C -5.0019 0.5072 -0.0930 C.3 1 UNL1111111111 -0.2492 10 C 5.5032 1.2264 0.1910 C.3 1 UNL1111111111 -0.2710 11 C 2.8773 -1.3554 -1.0547 C.3 1 UNL1111111111 -0.2792 12 C 1.6118 -3.0863 0.2561 C.2 1 UNL1111111111 -0.1653 13 C 5.8444 2.6516 -0.2651 C.3 1 UNL1111111111 -0.2510 14 C 2.5679 -2.7504 -0.6152 C.2 1 UNL1111111111 -0.1639 15 C -5.8890 1.5580 0.5810 C.3 1 UNL1111111111 -0.3939 16 C 6.9931 3.2317 0.5600 C.3 1 UNL1111111111 -0.4402 17 C -7.1875 1.7412 -0.1574 C.2 1 UNL1111111111 0.3440 18 H -0.9848 0.0384 0.9163 H 1 UNL1111111111 0.1359 19 H -1.7540 -1.2535 1.8431 H 1 UNL1111111111 0.1357 20 H -2.5703 -0.4183 -1.0222 H 1 UNL1111111111 0.1398 21 H -3.3441 -1.6962 -0.0816 H 1 UNL1111111111 0.1396 22 H -0.3618 -1.6420 -0.8938 H 1 UNL1111111111 0.1411 23 H -1.1107 -2.9304 0.0513 H 1 UNL1111111111 0.1390 24 H -3.1600 1.2698 0.7787 H 1 UNL1111111111 0.1349 25 H -3.9271 -0.0075 1.7271 H 1 UNL1111111111 0.1348 26 H 1.1949 -1.1342 1.0776 H 1 UNL1111111111 0.1470 27 H 0.4730 -2.4706 1.9702 H 1 UNL1111111111 0.1406 28 H 4.6369 0.6547 -1.7213 H 1 UNL1111111111 0.1369 29 H 3.4633 1.2927 -0.5658 H 1 UNL1111111111 0.1364 30 H 3.7367 -0.7900 0.8640 H 1 UNL1111111111 0.1394 31 H 4.9145 -1.4265 -0.2853 H 1 UNL1111111111 0.1384 32 H -5.5521 -0.4507 -0.1816 H 1 UNL1111111111 0.1519 33 H -4.7844 0.8099 -1.1361 H 1 UNL1111111111 0.1499 34 H 6.3972 0.5804 0.1118 H 1 UNL1111111111 0.1368 35 H 5.2254 1.2279 1.2612 H 1 UNL1111111111 0.1366 36 H 1.9852 -0.7014 -0.9832 H 1 UNL1111111111 0.1469 37 H 3.1600 -1.3459 -2.1267 H 1 UNL1111111111 0.1417 38 H 1.4359 -4.1299 0.5159 H 1 UNL1111111111 0.1398 39 H 6.1142 2.6504 -1.3381 H 1 UNL1111111111 0.1335 40 H 4.9521 3.2996 -0.1780 H 1 UNL1111111111 0.1331 41 H 3.2029 -3.5123 -1.0672 H 1 UNL1111111111 0.1398 42 H -5.3549 2.5281 0.6425 H 1 UNL1111111111 0.1635 43 H -6.0981 1.2664 1.6306 H 1 UNL1111111111 0.1644 44 H 7.9029 2.6293 0.4595 H 1 UNL1111111111 0.1426 45 H 6.7404 3.2723 1.6255 H 1 UNL1111111111 0.1422 46 H 7.2364 4.2509 0.2401 H 1 UNL1111111111 0.1399 47 H -7.8797 2.4956 0.2394 H 1 UNL1111111111 0.1018 @BOND 1 1 17 2 2 2 3 1 3 2 4 1 4 2 18 1 5 2 19 1 6 3 5 1 7 3 20 1 8 3 21 1 9 4 6 1 10 4 22 1 11 4 23 1 12 5 9 1 13 5 24 1 14 5 25 1 15 6 12 1 16 6 26 1 17 6 27 1 18 7 8 1 19 7 10 1 20 7 28 1 21 7 29 1 22 8 11 1 23 8 30 1 24 8 31 1 25 9 15 1 26 9 32 1 27 9 33 1 28 10 13 1 29 10 34 1 30 10 35 1 31 11 14 1 32 11 36 1 33 11 37 1 34 12 14 2 35 12 38 1 36 13 16 1 37 13 39 1 38 13 40 1 39 14 41 1 40 15 17 1 41 15 42 1 42 15 43 1 43 16 44 1 44 16 45 1 45 16 46 1 46 17 47 1