@MOLECULE tetraoctylammonium 101 100 0 0 0 SMALL GASTEIGER @ATOM 1 C 9.9986 1.4819 0.9002 C.3 1 UNL1111 -0.4399 2 C 8.6714 1.3332 1.6444 C.3 1 UNL1111 -0.2510 3 C 7.5126 1.1326 0.6588 C.3 1 UNL1111 -0.2731 4 C 6.1854 0.9564 1.4068 C.3 1 UNL1111 -0.2762 5 C 5.0290 0.7648 0.4175 C.3 1 UNL1111 -0.2705 6 C 3.7035 0.5715 1.1641 C.3 1 UNL1111 -0.2712 7 C 2.5482 0.3849 0.1705 C.3 1 UNL1111 -0.2826 8 C 1.2344 0.1891 0.9280 C.3 1 UNL1111 -0.2243 9 N 0.0013 0.0007 -0.0022 N.4 1 UNL1111 -0.1041 10 C -1.2326 -0.1863 0.9298 C.3 1 UNL1111 -0.2254 11 C -2.5468 -0.3867 0.1742 C.3 1 UNL1111 -0.2824 12 C -3.7037 -0.5735 1.1667 C.3 1 UNL1111 -0.2711 13 C -5.0286 -0.7685 0.4182 C.3 1 UNL1111 -0.2704 14 C -6.1872 -0.9580 1.4058 C.3 1 UNL1111 -0.2762 15 C -7.5148 -1.1348 0.6581 C.3 1 UNL1111 -0.2731 16 C -8.6752 -1.3314 1.6431 C.3 1 UNL1111 -0.2510 17 C -10.0027 -1.4773 0.8985 C.3 1 UNL1111 -0.4398 18 C -0.1862 1.2325 -0.9345 C.3 1 UNL1111 -0.2243 19 C -0.3850 2.5457 -0.1774 C.3 1 UNL1111 -0.2825 20 C -0.5720 3.7021 -1.1695 C.3 1 UNL1111 -0.2712 21 C -0.7657 5.0252 -0.4184 C.3 1 UNL1111 -0.2705 22 C -0.9576 6.1848 -1.4035 C.3 1 UNL1111 -0.2763 23 C -1.1329 7.5111 -0.6536 C.3 1 UNL1111 -0.2731 24 C -1.3331 8.6701 -1.6393 C.3 1 UNL1111 -0.2510 25 C -1.4830 9.9984 -0.8975 C.3 1 UNL1111 -0.4399 26 C 0.1911 -1.2318 -0.9322 C.3 1 UNL1111 -0.2241 27 C 0.3888 -2.5450 -0.1744 C.3 1 UNL1111 -0.2825 28 C 0.5735 -3.7013 -1.1672 C.3 1 UNL1111 -0.2712 29 C 0.7684 -5.0254 -0.4183 C.3 1 UNL1111 -0.2704 30 C 0.9585 -6.1843 -1.4049 C.3 1 UNL1111 -0.2762 31 C 1.1339 -7.5108 -0.6554 C.3 1 UNL1111 -0.2731 32 C 1.3318 -8.6712 -1.6399 C.3 1 UNL1111 -0.2510 33 C 1.4771 -9.9992 -0.8964 C.3 1 UNL1111 -0.4398 34 H 10.2254 0.5906 0.3046 H 1 UNL1111 0.1422 35 H 9.9810 2.3389 0.2178 H 1 UNL1111 0.1422 36 H 10.8300 1.6327 1.5973 H 1 UNL1111 0.1397 37 H 8.7249 0.4792 2.3455 H 1 UNL1111 0.1334 38 H 8.4855 2.2274 2.2688 H 1 UNL1111 0.1333 39 H 7.4492 1.9963 -0.0289 H 1 UNL1111 0.1362 40 H 7.7078 0.2515 0.0198 H 1 UNL1111 0.1364 41 H 6.2482 0.0892 2.0900 H 1 UNL1111 0.1358 42 H 5.9924 1.8356 2.0491 H 1 UNL1111 0.1357 43 H 4.9603 1.6381 -0.2578 H 1 UNL1111 0.1363 44 H 5.2273 -0.1077 -0.2326 H 1 UNL1111 0.1363 45 H 3.7710 -0.3042 1.8358 H 1 UNL1111 0.1352 46 H 3.5057 1.4421 1.8164 H 1 UNL1111 0.1352 47 H 2.4830 1.2634 -0.4982 H 1 UNL1111 0.1406 48 H 2.7518 -0.4838 -0.4833 H 1 UNL1111 0.1406 49 H 1.2978 -0.6975 1.5825 H 1 UNL1111 0.1278 50 H -1.0290 -1.0529 1.5820 H 1 UNL1111 0.1276 51 H 0.7017 1.2966 -1.5871 H 1 UNL1111 0.1277 52 H -0.6951 -1.2963 -1.5867 H 1 UNL1111 0.1278 53 H -2.7518 0.4802 -0.4813 H 1 UNL1111 0.1405 54 H -2.4796 -1.2668 -0.4923 H 1 UNL1111 0.1405 55 H -3.5062 -1.4433 1.8199 H 1 UNL1111 0.1351 56 H -3.7726 0.3023 1.8380 H 1 UNL1111 0.1352 57 H -5.2265 0.1022 -0.2343 H 1 UNL1111 0.1363 58 H -4.9585 -1.6434 -0.2548 H 1 UNL1111 0.1363 59 H -5.9953 -1.8359 2.0499 H 1 UNL1111 0.1357 60 H -6.2502 -0.0894 2.0872 H 1 UNL1111 0.1358 61 H -7.7089 -0.2544 0.0178 H 1 UNL1111 0.1364 62 H -7.4521 -1.9998 -0.0280 H 1 UNL1111 0.1362 63 H -8.4925 -2.2247 2.2696 H 1 UNL1111 0.1333 64 H -8.7269 -0.4761 2.3428 H 1 UNL1111 0.1334 65 H -10.2281 -0.5846 0.3045 H 1 UNL1111 0.1422 66 H -9.9863 -2.3332 0.2147 H 1 UNL1111 0.1422 67 H -10.8346 -1.6279 1.5952 H 1 UNL1111 0.1397 68 H -1.2644 2.4788 0.4901 H 1 UNL1111 0.1408 69 H 0.4828 2.7502 0.4773 H 1 UNL1111 0.1406 70 H 0.3040 3.7716 -1.8406 H 1 UNL1111 0.1352 71 H -1.4419 3.5053 -1.8228 H 1 UNL1111 0.1352 72 H -1.6388 4.9538 0.2567 H 1 UNL1111 0.1363 73 H 0.1067 5.2216 0.2324 H 1 UNL1111 0.1363 74 H -0.0904 6.2485 -2.0868 H 1 UNL1111 0.1358 75 H -1.8373 5.9943 -2.0458 H 1 UNL1111 0.1358 76 H -1.9959 7.4476 0.0347 H 1 UNL1111 0.1363 77 H -0.2511 7.7055 -0.0155 H 1 UNL1111 0.1364 78 H -0.4781 8.7229 -2.3395 H 1 UNL1111 0.1334 79 H -2.2261 8.4841 -2.2654 H 1 UNL1111 0.1333 80 H -1.6358 10.8284 -1.5960 H 1 UNL1111 0.1397 81 H -2.3393 9.9808 -0.2142 H 1 UNL1111 0.1422 82 H -0.5916 10.2277 -0.3033 H 1 UNL1111 0.1422 83 H 1.2687 -2.4792 0.4924 H 1 UNL1111 0.1406 84 H -0.4782 -2.7479 0.4817 H 1 UNL1111 0.1408 85 H -0.3034 -3.7699 -1.8370 H 1 UNL1111 0.1352 86 H 1.4425 -3.5044 -1.8218 H 1 UNL1111 0.1352 87 H 1.6431 -4.9547 0.2549 H 1 UNL1111 0.1363 88 H -0.1025 -5.2230 0.2342 H 1 UNL1111 0.1364 89 H 0.0904 -6.2473 -2.0872 H 1 UNL1111 0.1358 90 H 1.8370 -5.9935 -2.0487 H 1 UNL1111 0.1357 91 H 1.9978 -7.4477 0.0319 H 1 UNL1111 0.1363 92 H 0.2528 -7.7042 -0.0159 H 1 UNL1111 0.1364 93 H 0.4772 -8.7226 -2.3407 H 1 UNL1111 0.1334 94 H 2.2260 -8.4881 -2.2651 H 1 UNL1111 0.1333 95 H 1.0328 1.0584 1.5776 H 1 UNL1111 0.1279 96 H -1.2961 0.7029 1.5804 H 1 UNL1111 0.1276 97 H -1.0538 1.0293 -1.5855 H 1 UNL1111 0.1279 98 H 1.0603 -1.0296 -1.5819 H 1 UNL1111 0.1278 99 H 2.3332 -9.9839 -0.2129 H 1 UNL1111 0.1422 100 H 0.5845 -10.2247 -0.3022 H 1 UNL1111 0.1422 101 H 1.6271 -10.8305 -1.5939 H 1 UNL1111 0.1397 @BOND 1 1 2 1 2 1 34 1 3 1 35 1 4 1 36 1 5 2 3 1 6 2 37 1 7 2 38 1 8 3 4 1 9 3 39 1 10 3 40 1 11 4 5 1 12 4 41 1 13 4 42 1 14 5 6 1 15 5 43 1 16 5 44 1 17 6 7 1 18 6 45 1 19 6 46 1 20 7 8 1 21 7 47 1 22 7 48 1 23 8 9 1 24 8 95 1 25 8 49 1 26 9 10 1 27 9 18 1 28 9 26 1 29 10 11 1 30 10 96 1 31 10 50 1 32 11 12 1 33 11 53 1 34 11 54 1 35 12 13 1 36 12 55 1 37 12 56 1 38 13 14 1 39 13 57 1 40 13 58 1 41 14 15 1 42 14 59 1 43 14 60 1 44 15 16 1 45 15 61 1 46 15 62 1 47 16 17 1 48 16 63 1 49 16 64 1 50 17 65 1 51 17 66 1 52 17 67 1 53 18 19 1 54 18 97 1 55 18 51 1 56 19 20 1 57 19 68 1 58 19 69 1 59 20 21 1 60 20 70 1 61 20 71 1 62 21 22 1 63 21 72 1 64 21 73 1 65 22 23 1 66 22 74 1 67 22 75 1 68 23 24 1 69 23 76 1 70 23 77 1 71 24 25 1 72 24 78 1 73 24 79 1 74 25 80 1 75 25 81 1 76 25 82 1 77 26 27 1 78 26 98 1 79 26 52 1 80 27 28 1 81 27 83 1 82 27 84 1 83 28 29 1 84 28 85 1 85 28 86 1 86 29 30 1 87 29 87 1 88 29 88 1 89 30 31 1 90 30 89 1 91 30 90 1 92 31 32 1 93 31 91 1 94 31 92 1 95 32 33 1 96 32 93 1 97 32 94 1 98 33 99 1 99 33 100 1 100 33 101 1