@MOLECULE hexadecenoic acid 48 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.8653 -2.5964 0.7856 O.3 1 UNL1111111111 -0.5574 2 O -6.3040 -2.0275 -1.2931 O.2 1 UNL1111111111 -0.5206 3 C 2.3001 0.1760 0.1678 C.3 1 UNL1111111111 -0.2722 4 C 1.2387 1.2225 -0.1948 C.3 1 UNL1111111111 -0.2726 5 C 3.7027 0.6765 -0.1988 C.3 1 UNL1111111111 -0.2721 6 C -0.1580 0.7230 0.1958 C.3 1 UNL1111111111 -0.2721 7 C 4.7641 -0.3678 0.1698 C.3 1 UNL1111111111 -0.2719 8 C -1.2302 1.7522 -0.1844 C.3 1 UNL1111111111 -0.2761 9 C 6.1663 0.1290 -0.2046 C.3 1 UNL1111111111 -0.2748 10 C -2.6144 1.2873 0.2824 C.3 1 UNL1111111111 -0.2713 11 C 7.2279 -0.9141 0.1665 C.3 1 UNL1111111111 -0.2721 12 C -3.6991 2.2778 -0.1594 C.3 1 UNL1111111111 -0.2620 13 C 8.6317 -0.4181 -0.2050 C.3 1 UNL1111111111 -0.2511 14 C -5.0817 1.8525 0.3584 C.3 1 UNL1111111111 -0.3052 15 C 9.6918 -1.4565 0.1625 C.3 1 UNL1111111111 -0.4397 16 C -5.4860 0.5422 -0.2246 C.2 1 UNL1111111111 0.0078 17 C -6.0038 -0.4534 0.5075 C.2 1 UNL1111111111 -0.3339 18 C -6.3786 -1.7137 -0.1305 C.2 1 UNL1111111111 0.6521 19 H 2.2506 -0.0544 1.2484 H 1 UNL1111111111 0.1366 20 H 2.0883 -0.7754 -0.3553 H 1 UNL1111111111 0.1378 21 H 1.4575 2.1787 0.3155 H 1 UNL1111111111 0.1355 22 H 1.2762 1.4411 -1.2784 H 1 UNL1111111111 0.1368 23 H 3.9130 1.6297 0.3208 H 1 UNL1111111111 0.1359 24 H 3.7533 0.9024 -1.2803 H 1 UNL1111111111 0.1365 25 H -0.3676 -0.2431 -0.3021 H 1 UNL1111111111 0.1399 26 H -0.1949 0.5188 1.2815 H 1 UNL1111111111 0.1367 27 H 4.7176 -0.5895 1.2522 H 1 UNL1111111111 0.1364 28 H 4.5510 -1.3230 -0.3452 H 1 UNL1111111111 0.1370 29 H -1.2293 1.9087 -1.2794 H 1 UNL1111111111 0.1379 30 H -0.9882 2.7334 0.2630 H 1 UNL1111111111 0.1351 31 H 6.2136 0.3487 -1.2874 H 1 UNL1111111111 0.1364 32 H 6.3790 1.0851 0.3088 H 1 UNL1111111111 0.1360 33 H -2.8323 0.2799 -0.1227 H 1 UNL1111111111 0.1448 34 H -2.6249 1.1766 1.3829 H 1 UNL1111111111 0.1389 35 H 7.0169 -1.8699 -0.3480 H 1 UNL1111111111 0.1368 36 H 7.1801 -1.1361 1.2487 H 1 UNL1111111111 0.1364 37 H -3.4594 3.2913 0.2145 H 1 UNL1111111111 0.1387 38 H -3.7113 2.3606 -1.2629 H 1 UNL1111111111 0.1416 39 H 8.8440 0.5375 0.3106 H 1 UNL1111111111 0.1333 40 H 8.6796 -0.1956 -1.2877 H 1 UNL1111111111 0.1336 41 H -5.0762 1.8281 1.4676 H 1 UNL1111111111 0.1563 42 H -5.8380 2.6229 0.0886 H 1 UNL1111111111 0.1604 43 H 9.6876 -1.6701 1.2371 H 1 UNL1111111111 0.1423 44 H 10.6967 -1.1082 -0.1003 H 1 UNL1111111111 0.1400 45 H 9.5236 -2.4034 -0.3625 H 1 UNL1111111111 0.1425 46 H -5.3334 0.4374 -1.3059 H 1 UNL1111111111 0.1651 47 H -6.1678 -0.3933 1.5829 H 1 UNL1111111111 0.1877 48 H -7.1283 -3.4628 0.3898 H 1 UNL1111111111 0.3524 @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 16 1 39 14 41 1 40 14 42 1 41 15 43 1 42 15 44 1 43 15 45 1 44 16 17 2 45 16 46 1 46 17 18 1 47 17 47 1