@MOLECULE (3e)-3-hexadecenoic acid 48 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -9.1579 0.7238 0.1966 O.3 1 UNL1111111111 -0.5743 2 O -8.2812 -1.2848 -0.1982 O.2 1 UNL1111111111 -0.5000 3 C 2.9676 0.4011 0.0424 C.3 1 UNL1111111111 -0.2731 4 C 4.2280 -0.4726 0.0377 C.3 1 UNL1111111111 -0.2716 5 C 1.7047 -0.4684 0.0867 C.3 1 UNL1111111111 -0.2727 6 C 5.4904 0.3973 -0.0143 C.3 1 UNL1111111111 -0.2722 7 C 0.4454 0.4078 0.0812 C.3 1 UNL1111111111 -0.2730 8 C 6.7509 -0.4770 -0.0265 C.3 1 UNL1111111111 -0.2745 9 C -0.8164 -0.4525 0.2242 C.3 1 UNL1111111111 -0.2732 10 C 8.0133 0.3928 -0.0734 C.3 1 UNL1111111111 -0.2723 11 C -2.0773 0.4196 0.1680 C.3 1 UNL1111111111 -0.2681 12 C 9.2754 -0.4800 -0.0919 C.3 1 UNL1111111111 -0.2509 13 C -3.3341 -0.4301 0.4090 C.3 1 UNL1111111111 -0.2819 14 C 10.5350 0.3843 -0.1520 C.3 1 UNL1111111111 -0.4398 15 C -4.5738 0.3882 0.2519 C.2 1 UNL1111111111 -0.1366 16 C -5.6799 -0.0883 -0.3256 C.2 1 UNL1111111111 -0.1768 17 C -6.9202 0.7280 -0.4822 C.3 1 UNL1111111111 -0.3462 18 C -8.1294 -0.0939 -0.1621 C.2 1 UNL1111111111 0.6519 19 H 2.9510 1.0483 -0.8544 H 1 UNL1111111111 0.1366 20 H 2.9858 1.0870 0.9104 H 1 UNL1111111111 0.1364 21 H 4.2474 -1.1147 0.9379 H 1 UNL1111111111 0.1365 22 H 4.2074 -1.1621 -0.8269 H 1 UNL1111111111 0.1366 23 H 1.7186 -1.1085 0.9884 H 1 UNL1111111111 0.1369 24 H 1.6892 -1.1600 -0.7763 H 1 UNL1111111111 0.1369 25 H 5.4691 1.0431 -0.9119 H 1 UNL1111111111 0.1364 26 H 5.5138 1.0834 0.8528 H 1 UNL1111111111 0.1364 27 H 0.4005 0.9974 -0.8533 H 1 UNL1111111111 0.1366 28 H 0.4945 1.1457 0.9039 H 1 UNL1111111111 0.1366 29 H 6.7708 -1.1254 0.8691 H 1 UNL1111111111 0.1364 30 H 6.7292 -1.1602 -0.8958 H 1 UNL1111111111 0.1364 31 H -0.7838 -1.0129 1.1771 H 1 UNL1111111111 0.1379 32 H -0.8479 -1.2148 -0.5762 H 1 UNL1111111111 0.1381 33 H 7.9922 1.0449 -0.9662 H 1 UNL1111111111 0.1365 34 H 8.0382 1.0738 0.7968 H 1 UNL1111111111 0.1363 35 H -2.0150 1.2273 0.9211 H 1 UNL1111111111 0.1368 36 H -2.1452 0.9235 -0.8139 H 1 UNL1111111111 0.1396 37 H 9.3021 -1.1252 0.8064 H 1 UNL1111111111 0.1336 38 H 9.2472 -1.1676 -0.9582 H 1 UNL1111111111 0.1336 39 H -3.3076 -0.8634 1.4325 H 1 UNL1111111111 0.1538 40 H -3.3354 -1.3018 -0.2764 H 1 UNL1111111111 0.1499 41 H 10.5495 1.0092 -1.0522 H 1 UNL1111111111 0.1423 42 H 11.4399 -0.2330 -0.1643 H 1 UNL1111111111 0.1401 43 H 10.6037 1.0524 0.7136 H 1 UNL1111111111 0.1422 44 H -4.5156 1.3987 0.6529 H 1 UNL1111111111 0.1447 45 H -5.7449 -1.1038 -0.7202 H 1 UNL1111111111 0.1685 46 H -7.0017 1.1028 -1.5316 H 1 UNL1111111111 0.1895 47 H -6.9023 1.6487 0.1457 H 1 UNL1111111111 0.1870 48 H -9.9918 0.2425 0.4155 H 1 UNL1111111111 0.3559 @BOND 1 1 18 1 2 1 48 1 3 2 18 2 4 3 4 1 5 3 5 1 6 3 19 1 7 3 20 1 8 4 6 1 9 4 21 1 10 4 22 1 11 5 7 1 12 5 23 1 13 5 24 1 14 6 8 1 15 6 25 1 16 6 26 1 17 7 9 1 18 7 27 1 19 7 28 1 20 8 10 1 21 8 29 1 22 8 30 1 23 9 11 1 24 9 31 1 25 9 32 1 26 10 12 1 27 10 33 1 28 10 34 1 29 11 13 1 30 11 35 1 31 11 36 1 32 12 14 1 33 12 37 1 34 12 38 1 35 13 15 1 36 13 39 1 37 13 40 1 38 14 41 1 39 14 42 1 40 14 43 1 41 15 16 2 42 15 44 1 43 16 17 1 44 16 45 1 45 17 18 1 46 17 46 1 47 17 47 1