@MOLECULE 1,1'-diheptyl-4,4'-bipyridinium 64 65 0 0 0 SMALL GASTEIGER @ATOM 1 N -3.5095 1.5577 0.3230 N.ar 1 UNL1111111111 -0.3537 2 N 3.5130 1.5759 -0.3863 N.ar 1 UNL1111111111 -0.3550 3 C -6.9893 -0.0644 0.2375 C.3 1 UNL1111111111 -0.2698 4 C 6.9862 -0.0754 -0.2241 C.3 1 UNL1111111111 -0.2693 5 C -5.4605 -0.0095 0.1541 C.3 1 UNL1111111111 -0.3082 6 C 5.4564 -0.0018 -0.1411 C.3 1 UNL1111111111 -0.3086 7 C -7.5111 -1.4758 -0.0673 C.3 1 UNL1111111111 -0.2701 8 C 7.5044 -1.4836 0.1060 C.3 1 UNL1111111111 -0.2699 9 C -4.9627 1.4204 0.4518 C.3 1 UNL1111111111 -0.0792 10 C 4.9702 1.4221 -0.4831 C.3 1 UNL1111111111 -0.0782 11 C -9.0444 -1.4963 -0.0053 C.3 1 UNL1111111111 -0.2745 12 C 9.0393 -1.5126 0.0489 C.3 1 UNL1111111111 -0.2744 13 C -9.5886 -2.9038 -0.2807 C.3 1 UNL1111111111 -0.2517 14 C 9.5840 -2.9145 0.3561 C.3 1 UNL1111111111 -0.2519 15 C -0.6761 1.2700 0.0486 C.ar 1 UNL1111111111 -0.0299 16 C 0.6834 1.2920 -0.0859 C.ar 1 UNL1111111111 -0.0304 17 C -2.6976 1.3938 1.4484 C.ar 1 UNL1111111111 0.0211 18 C 2.9212 1.6185 0.8800 C.ar 1 UNL1111111111 0.0179 19 C -2.9278 1.3945 -0.9380 C.ar 1 UNL1111111111 0.0178 20 C 2.7098 1.2299 -1.4767 C.ar 1 UNL1111111111 0.0212 21 C -1.3503 1.2913 1.3374 C.ar 1 UNL1111111111 -0.2420 22 C 1.5801 1.5069 1.0381 C.ar 1 UNL1111111111 -0.2385 23 C -1.5867 1.2652 -1.0864 C.ar 1 UNL1111111111 -0.2380 24 C 1.3630 1.1266 -1.3607 C.ar 1 UNL1111111111 -0.2404 25 C -11.1176 -2.9098 -0.2478 C.3 1 UNL1111111111 -0.4400 26 C 11.1130 -2.9250 0.3278 C.3 1 UNL1111111111 -0.4398 27 H -7.4372 0.6578 -0.4709 H 1 UNL1111111111 0.1375 28 H -7.3298 0.2462 1.2433 H 1 UNL1111111111 0.1372 29 H 7.4426 0.6529 0.4727 H 1 UNL1111111111 0.1372 30 H 7.3276 0.2169 -1.2360 H 1 UNL1111111111 0.1371 31 H -5.1248 -0.3268 -0.8511 H 1 UNL1111111111 0.1495 32 H -5.0040 -0.7247 0.8615 H 1 UNL1111111111 0.1512 33 H 5.1109 -0.2869 0.8703 H 1 UNL1111111111 0.1501 34 H 4.9927 -0.7352 -0.8263 H 1 UNL1111111111 0.1507 35 H -7.1674 -1.8057 -1.0658 H 1 UNL1111111111 0.1388 36 H -7.0922 -2.2029 0.6522 H 1 UNL1111111111 0.1390 37 H 7.1584 -1.7929 1.1097 H 1 UNL1111111111 0.1389 38 H 7.0839 -2.2213 -0.6024 H 1 UNL1111111111 0.1389 39 H -5.4471 2.1442 -0.2465 H 1 UNL1111111111 0.1445 40 H -5.2697 1.7224 1.4781 H 1 UNL1111111111 0.1434 41 H 5.4465 2.1617 0.2029 H 1 UNL1111111111 0.1441 42 H 5.2971 1.7003 -1.5115 H 1 UNL1111111111 0.1437 43 H -9.3890 -1.1500 0.9861 H 1 UNL1111111111 0.1361 44 H -9.4640 -0.7809 -0.7370 H 1 UNL1111111111 0.1362 45 H 9.3876 -1.1870 -0.9485 H 1 UNL1111111111 0.1359 46 H 9.4604 -0.7861 0.7688 H 1 UNL1111111111 0.1361 47 H -9.2324 -3.2658 -1.2635 H 1 UNL1111111111 0.1347 48 H -9.1934 -3.6139 0.4703 H 1 UNL1111111111 0.1347 49 H 9.2215 -3.2543 1.3458 H 1 UNL1111111111 0.1348 50 H 9.1908 -3.6414 -0.3789 H 1 UNL1111111111 0.1345 51 H -3.2079 1.4055 2.4127 H 1 UNL1111111111 0.1475 52 H 3.5992 1.7949 1.7168 H 1 UNL1111111111 0.1487 53 H -3.6150 1.4273 -1.7843 H 1 UNL1111111111 0.1490 54 H 3.2309 1.1026 -2.4255 H 1 UNL1111111111 0.1475 55 H -0.7355 1.2091 2.2289 H 1 UNL1111111111 0.1564 56 H 1.1398 1.6054 2.0259 H 1 UNL1111111111 0.1569 57 H -1.1531 1.1861 -2.0801 H 1 UNL1111111111 0.1567 58 H 0.7566 0.8928 -2.2304 H 1 UNL1111111111 0.1565 59 H -11.4986 -2.5879 0.7266 H 1 UNL1111111111 0.1422 60 H -11.5133 -3.9129 -0.4418 H 1 UNL1111111111 0.1412 61 H -11.5374 -2.2387 -1.0048 H 1 UNL1111111111 0.1423 62 H 11.4974 -2.6179 -0.6515 H 1 UNL1111111111 0.1423 63 H 11.5053 -3.9271 0.5357 H 1 UNL1111111111 0.1413 64 H 11.5335 -2.2448 1.0766 H 1 UNL1111111111 0.1422 @BOND 1 1 9 1 2 1 17 ar 3 1 19 ar 4 2 10 1 5 2 18 ar 6 2 20 ar 7 3 5 1 8 3 7 1 9 3 27 1 10 3 28 1 11 4 6 1 12 4 8 1 13 4 29 1 14 4 30 1 15 5 9 1 16 5 31 1 17 5 32 1 18 6 10 1 19 6 33 1 20 6 34 1 21 7 11 1 22 7 35 1 23 7 36 1 24 8 12 1 25 8 37 1 26 8 38 1 27 9 39 1 28 9 40 1 29 10 41 1 30 10 42 1 31 11 13 1 32 11 43 1 33 11 44 1 34 12 14 1 35 12 45 1 36 12 46 1 37 13 25 1 38 13 47 1 39 13 48 1 40 14 26 1 41 14 49 1 42 14 50 1 43 15 16 1 44 15 21 ar 45 15 23 ar 46 16 22 ar 47 16 24 ar 48 17 21 ar 49 17 51 1 50 18 22 ar 51 18 52 1 52 19 23 ar 53 19 53 1 54 20 24 ar 55 20 54 1 56 21 55 1 57 22 56 1 58 23 57 1 59 24 58 1 60 25 59 1 61 25 60 1 62 25 61 1 63 26 62 1 64 26 63 1 65 26 64 1