@MOLECULE 8-dodecenyl acetate 42 41 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.3164 0.6756 0.1843 O.3 1 UNL1111111111 -0.4408 2 O 6.9385 -0.5865 -0.7165 O.2 1 UNL1111111111 -0.5136 3 C 0.5322 -0.1203 0.3337 C.3 1 UNL1111111111 -0.2683 4 C -0.6119 -1.0706 -0.0421 C.3 1 UNL1111111111 -0.2736 5 C 1.8780 -0.6775 -0.1472 C.3 1 UNL1111111111 -0.2673 6 C -1.9551 -0.5186 0.4491 C.3 1 UNL1111111111 -0.2649 7 C 3.0178 0.2709 0.2365 C.3 1 UNL1111111111 -0.3009 8 C -3.1042 -1.4667 0.0711 C.3 1 UNL1111111111 -0.2791 9 C 4.3519 -0.2989 -0.2411 C.3 1 UNL1111111111 -0.0122 10 C -4.4086 -0.8961 0.5264 C.2 1 UNL1111111111 -0.1685 11 C -5.4148 -0.6274 -0.3097 C.2 1 UNL1111111111 -0.1665 12 C -6.7195 -0.0580 0.1449 C.3 1 UNL1111111111 -0.2804 13 C -7.0044 1.2645 -0.5860 C.3 1 UNL1111111111 -0.2415 14 C -8.3267 1.8716 -0.1196 C.3 1 UNL1111111111 -0.4406 15 C 6.6103 0.4080 -0.1225 C.2 1 UNL1111111111 0.6265 16 C 7.4844 1.5044 0.3818 C.3 1 UNL1111111111 -0.5128 17 H 0.3549 0.8786 -0.1072 H 1 UNL1111111111 0.1383 18 H 0.5536 0.0316 1.4292 H 1 UNL1111111111 0.1378 19 H -0.4321 -2.0720 0.3918 H 1 UNL1111111111 0.1370 20 H -0.6398 -1.2150 -1.1384 H 1 UNL1111111111 0.1374 21 H 1.8552 -0.8244 -1.2439 H 1 UNL1111111111 0.1402 22 H 2.0499 -1.6791 0.2915 H 1 UNL1111111111 0.1399 23 H -2.1394 0.4819 0.0135 H 1 UNL1111111111 0.1415 24 H -1.9302 -0.3718 1.5448 H 1 UNL1111111111 0.1374 25 H 3.0447 0.4290 1.3322 H 1 UNL1111111111 0.1529 26 H 2.8567 1.2752 -0.2013 H 1 UNL1111111111 0.1530 27 H -2.9468 -2.4612 0.5375 H 1 UNL1111111111 0.1458 28 H -3.0981 -1.6486 -1.0217 H 1 UNL1111111111 0.1428 29 H 4.5999 -1.2669 0.2273 H 1 UNL1111111111 0.1354 30 H 4.4109 -0.3965 -1.3389 H 1 UNL1111111111 0.1355 31 H -4.4787 -0.7114 1.5963 H 1 UNL1111111111 0.1434 32 H -5.3425 -0.8078 -1.3804 H 1 UNL1111111111 0.1433 33 H -6.7334 0.1090 1.2399 H 1 UNL1111111111 0.1430 34 H -7.5352 -0.7840 -0.0525 H 1 UNL1111111111 0.1464 35 H -6.1746 1.9748 -0.4069 H 1 UNL1111111111 0.1380 36 H -7.0278 1.0959 -1.6790 H 1 UNL1111111111 0.1343 37 H -8.5346 2.8145 -0.6377 H 1 UNL1111111111 0.1411 38 H -8.3139 2.0835 0.9554 H 1 UNL1111111111 0.1428 39 H -9.1684 1.1974 -0.3131 H 1 UNL1111111111 0.1425 40 H 8.5401 1.3078 0.1375 H 1 UNL1111111111 0.1852 41 H 7.4012 1.6138 1.4744 H 1 UNL1111111111 0.1849 42 H 7.2065 2.4746 -0.0587 H 1 UNL1111111111 0.1849 @BOND 1 1 9 1 2 1 15 1 3 2 15 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 29 1 24 9 30 1 25 10 11 2 26 10 31 1 27 11 12 1 28 11 32 1 29 12 13 1 30 12 33 1 31 12 34 1 32 13 14 1 33 13 35 1 34 13 36 1 35 14 37 1 36 14 38 1 37 14 39 1 38 15 16 1 39 16 40 1 40 16 41 1 41 16 42 1