@MOLECULE (3z)-3-dodecenoic acid 36 35 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.1627 2.3517 0.1504 O.3 1 UNL1111111111 -0.5826 2 O 4.9028 0.5488 -0.9226 O.2 1 UNL1111111111 -0.4912 3 C -2.2641 -0.5699 0.2558 C.3 1 UNL1111111111 -0.2735 4 C -3.4350 0.0428 -0.5231 C.3 1 UNL1111111111 -0.2740 5 C -1.0001 -0.6146 -0.6118 C.3 1 UNL1111111111 -0.2732 6 C -4.6907 0.1160 0.3549 C.3 1 UNL1111111111 -0.2729 7 C 0.1650 -1.2414 0.1629 C.3 1 UNL1111111111 -0.2615 8 C -5.8601 0.7391 -0.4191 C.3 1 UNL1111111111 -0.2508 9 C 1.4435 -1.2405 -0.6900 C.3 1 UNL1111111111 -0.2867 10 C -7.1045 0.8440 0.4626 C.3 1 UNL1111111111 -0.4397 11 C 2.5706 -1.8471 0.0808 C.2 1 UNL1111111111 -0.1204 12 C 3.4442 -1.1634 0.8260 C.2 1 UNL1111111111 -0.1731 13 C 3.4159 0.3179 1.0160 C.3 1 UNL1111111111 -0.3447 14 C 4.2417 1.0008 -0.0288 C.2 1 UNL1111111111 0.6510 15 H -2.5282 -1.5884 0.5961 H 1 UNL1111111111 0.1367 16 H -2.0730 0.0168 1.1736 H 1 UNL1111111111 0.1364 17 H -3.6417 -0.5547 -1.4305 H 1 UNL1111111111 0.1367 18 H -3.1642 1.0538 -0.8807 H 1 UNL1111111111 0.1371 19 H -0.7330 0.4068 -0.9425 H 1 UNL1111111111 0.1386 20 H -1.1950 -1.1911 -1.5356 H 1 UNL1111111111 0.1385 21 H -4.9669 -0.8946 0.7083 H 1 UNL1111111111 0.1365 22 H -4.4831 0.7082 1.2653 H 1 UNL1111111111 0.1365 23 H 0.3384 -0.6900 1.1059 H 1 UNL1111111111 0.1375 24 H -0.0890 -2.2756 0.4621 H 1 UNL1111111111 0.1388 25 H -6.0839 0.1347 -1.3183 H 1 UNL1111111111 0.1338 26 H -5.5758 1.7416 -0.7909 H 1 UNL1111111111 0.1339 27 H 1.6841 -0.2098 -1.0186 H 1 UNL1111111111 0.1485 28 H 1.2734 -1.8055 -1.6297 H 1 UNL1111111111 0.1492 29 H -7.4231 -0.1398 0.8248 H 1 UNL1111111111 0.1424 30 H -7.9448 1.2806 -0.0884 H 1 UNL1111111111 0.1406 31 H -6.9224 1.4751 1.3395 H 1 UNL1111111111 0.1423 32 H 2.6419 -2.9330 -0.0034 H 1 UNL1111111111 0.1455 33 H 4.2589 -1.6697 1.3437 H 1 UNL1111111111 0.1522 34 H 2.3738 0.7174 0.9894 H 1 UNL1111111111 0.1910 35 H 3.7895 0.5993 2.0284 H 1 UNL1111111111 0.1847 36 H 4.6887 2.8718 -0.5025 H 1 UNL1111111111 0.3558 @BOND 1 1 14 1 2 1 36 1 3 2 14 2 4 3 4 1 5 3 5 1 6 3 15 1 7 3 16 1 8 4 6 1 9 4 17 1 10 4 18 1 11 5 7 1 12 5 19 1 13 5 20 1 14 6 8 1 15 6 21 1 16 6 22 1 17 7 9 1 18 7 23 1 19 7 24 1 20 8 10 1 21 8 25 1 22 8 26 1 23 9 11 1 24 9 27 1 25 9 28 1 26 10 29 1 27 10 30 1 28 10 31 1 29 11 12 2 30 11 32 1 31 12 13 1 32 12 33 1 33 13 14 1 34 13 34 1 35 13 35 1