@MOLECULE [(e)-1,2-diazenediyldi-3,1-phenylene]bis(n,n,n-trimethylmethanaminium) 54 55 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -5.8361 -0.6179 0.2288 N.4 1 UNL1 0.0558 2 N 5.7735 0.7721 -0.0551 N.4 1 UNL1 0.0558 3 N -0.5992 -0.3660 -0.2201 N.2 1 UNL1 -0.4154 4 N 0.5677 0.1150 0.3191 N.2 1 UNL1 -0.4200 5 C -5.3097 0.0688 -1.0462 C.3 1 UNL1 -0.1674 6 C 5.2984 -0.1628 1.0735 C.3 1 UNL1 -0.1678 7 C -7.1849 -1.2095 -0.0641 C.3 1 UNL1 -0.3546 8 C -5.9676 0.3823 1.3398 C.3 1 UNL1 -0.3517 9 C -4.9063 -1.7115 0.6679 C.3 1 UNL1 -0.3534 10 C 7.0581 1.4239 0.3694 C.3 1 UNL1 -0.3547 11 C 6.0088 -0.0140 -1.3115 C.3 1 UNL1 -0.3524 12 C 4.7534 1.8382 -0.3321 C.3 1 UNL1 -0.3527 13 C -3.9937 0.7321 -0.7350 C.ar 1 UNL1 0.0367 14 C 4.0261 -0.8432 0.6420 C.ar 1 UNL1 0.0362 15 C -2.8560 -0.0366 -0.7944 C.ar 1 UNL1 -0.3904 16 C 2.8423 -0.1716 0.8352 C.ar 1 UNL1 -0.3918 17 C -3.9985 2.0614 -0.3147 C.ar 1 UNL1 -0.4731 18 C 4.1102 -2.0741 -0.0066 C.ar 1 UNL1 -0.4717 19 C -1.6026 0.4913 -0.2918 C.ar 1 UNL1 0.2538 20 C 1.6185 -0.6839 0.2505 C.ar 1 UNL1 0.2563 21 C -2.7603 2.6274 0.0749 C.ar 1 UNL1 -0.0596 22 C 2.9049 -2.6437 -0.4847 C.ar 1 UNL1 -0.0587 23 C -1.6144 1.8907 0.1009 C.ar 1 UNL1 -0.2993 24 C 1.7132 -1.9917 -0.3760 C.ar 1 UNL1 -0.2978 25 H -6.0647 0.8066 -1.3849 H 1 UNL1 0.1516 26 H -5.2001 -0.7001 -1.8389 H 1 UNL1 0.1586 27 H 5.1424 0.4446 1.9891 H 1 UNL1 0.1584 28 H 6.1010 -0.8985 1.2817 H 1 UNL1 0.1517 29 H -7.8978 -0.4296 -0.3813 H 1 UNL1 0.1712 30 H -7.6065 -1.7100 0.8229 H 1 UNL1 0.1674 31 H -7.1192 -1.9564 -0.8743 H 1 UNL1 0.1751 32 H -6.6396 1.2077 1.0590 H 1 UNL1 0.1699 33 H -4.9691 0.8583 1.5402 H 1 UNL1 0.2411 34 H -6.3236 -0.0820 2.2679 H 1 UNL1 0.1570 35 H -4.7550 -2.4560 -0.1300 H 1 UNL1 0.1775 36 H -5.2657 -2.2132 1.5752 H 1 UNL1 0.1581 37 H -3.8864 -1.2872 0.8863 H 1 UNL1 0.2467 38 H 7.8362 0.6692 0.5740 H 1 UNL1 0.1708 39 H 6.9120 2.0156 1.2902 H 1 UNL1 0.1754 40 H 7.4432 2.1012 -0.4101 H 1 UNL1 0.1674 41 H 6.7685 -0.7959 -1.1598 H 1 UNL1 0.1683 42 H 6.3092 0.6310 -2.1471 H 1 UNL1 0.1578 43 H 5.0656 -0.5534 -1.6011 H 1 UNL1 0.2410 44 H 4.5257 2.4222 0.5742 H 1 UNL1 0.1784 45 H 3.7781 1.3699 -0.6438 H 1 UNL1 0.2470 46 H 5.0765 2.5141 -1.1336 H 1 UNL1 0.1578 47 H -2.8348 -1.0315 -1.2103 H 1 UNL1 0.1459 48 H 2.7640 0.7318 1.4190 H 1 UNL1 0.1451 49 H -4.8837 2.6640 -0.3239 H 1 UNL1 0.1199 50 H 5.0322 -2.6099 -0.1058 H 1 UNL1 0.1200 51 H -2.7473 3.6759 0.3649 H 1 UNL1 0.1143 52 H 2.9562 -3.6238 -0.9540 H 1 UNL1 0.1152 53 H -0.6639 2.3081 0.4166 H 1 UNL1 0.1639 54 H 0.7852 -2.4125 -0.7495 H 1 UNL1 0.1655 @BOND 1 42 11 1 2 26 5 1 3 43 11 1 4 25 5 1 5 11 41 1 6 11 2 1 7 47 15 1 8 46 12 1 9 5 13 1 10 5 1 1 11 52 22 1 12 31 7 1 13 15 13 ar 14 15 19 ar 15 54 24 1 16 13 17 ar 17 45 12 1 18 22 24 ar 19 22 18 ar 20 40 10 1 21 29 7 1 22 24 20 ar 23 12 2 1 24 12 44 1 25 49 17 1 26 17 21 ar 27 19 3 1 28 19 23 ar 29 3 4 2 30 35 9 1 31 50 18 1 32 7 1 1 33 7 30 1 34 2 10 1 35 2 6 1 36 18 14 ar 37 21 23 ar 38 21 51 1 39 23 53 1 40 1 9 1 41 1 8 1 42 20 4 1 43 20 16 ar 44 10 38 1 45 10 39 1 46 14 16 ar 47 14 6 1 48 9 37 1 49 9 36 1 50 16 48 1 51 32 8 1 52 6 28 1 53 6 27 1 54 8 33 1 55 8 34 1