5282330 -OEChem-04182406232D 58 66 0 0 0 0 0 0 0999 V2000 6.5618 -1.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4009 0.0318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8074 -1.5935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2646 -1.6452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8849 1.7862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7228 0.0318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5618 1.1927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2646 1.8119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0716 -2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6981 -0.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1294 -2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6981 0.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 -1.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5799 -0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3827 -1.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5799 0.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3224 -0.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0716 2.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3482 0.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0778 2.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5437 -0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5427 -3.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8491 -0.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5437 0.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3827 2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6583 -3.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8491 1.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0716 -4.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1294 -4.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2255 -1.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5909 3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2771 1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6032 3.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1545 -0.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1163 4.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1803 0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1226 4.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5665 -0.5092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0209 0.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9227 -3.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8491 -1.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2783 -3.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8491 1.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7616 -5.0204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4394 -5.0204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2104 -1.6810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9711 3.6409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2922 1.6742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2230 3.5576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6837 -0.8776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8202 5.0282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7246 0.7999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4462 4.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 1 41 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 2 42 1 0 0 0 0 3 13 2 0 0 0 0 3 14 1 0 0 0 0 4 15 2 0 0 0 0 4 21 1 0 0 0 0 5 16 1 0 0 0 0 5 22 2 0 0 0 0 6 21 2 0 0 0 0 6 25 1 0 0 0 0 7 22 1 0 0 0 0 7 26 2 0 0 0 0 8 25 2 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 23 2 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 10 24 1 0 0 0 0 11 15 1 0 0 0 0 11 27 2 0 0 0 0 12 16 2 0 0 0 0 12 28 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 17 33 2 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 18 34 2 0 0 0 0 19 25 1 0 0 0 0 19 35 2 0 0 0 0 20 26 1 0 0 0 0 20 36 2 0 0 0 0 23 29 1 0 0 0 0 23 43 1 0 0 0 0 24 30 2 0 0 0 0 24 44 1 0 0 0 0 27 31 1 0 0 0 0 27 45 1 0 0 0 0 28 32 2 0 0 0 0 28 46 1 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 30 32 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 33 37 1 0 0 0 0 33 51 1 0 0 0 0 34 38 1 0 0 0 0 34 52 1 0 0 0 0 35 39 1 0 0 0 0 35 53 1 0 0 0 0 36 40 1 0 0 0 0 36 54 1 0 0 0 0 37 39 2 0 0 0 0 37 55 1 0 0 0 0 38 40 2 0 0 0 0 38 56 1 0 0 0 0 39 57 1 0 0 0 0 40 58 1 0 0 0 0 M END > 5282330 > 1 > 847 > 6 > 2 > 0 > AAADceB/wAAAAAAAAAAAAAAAAAAAAWLFiwAwYMGAAAAAAFgB/gAAHAAQAAAADACBGwAxsN7JkACgAiJiZACCgCmhAKAJmSAgRJiIKOLAmZGEIAhogALIyCcQgIAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA== > 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene > 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene > 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene > 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene > 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene > 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene > InChI=1S/C32H18N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h1-16H,(H2,33,34,35,36,37,38,39,40) > IEQIEDJGQAUEQZ-UHFFFAOYSA-N > 6.4 > 514.16544261 > C32H18N8 > 514.5 > C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C(N4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2N3 > C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C(N4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2N3 > 109 > 514.16544261 > 0 > 40 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 1 5 255 > 1 13 8 1 15 8 10 12 8 10 14 8 10 24 8 11 15 8 11 27 8 12 16 8 12 28 8 17 19 8 17 33 8 18 20 8 18 34 8 19 35 8 2 14 8 2 16 8 20 36 8 23 29 8 24 30 8 27 31 8 28 32 8 29 31 8 3 13 8 3 14 8 30 32 8 33 37 8 34 38 8 35 39 8 36 40 8 37 39 8 38 40 8 4 15 8 4 21 8 5 16 8 5 22 8 6 21 8 6 25 8 7 22 8 7 26 8 8 25 8 8 26 8 9 11 8 9 13 8 9 23 8 $$$$