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0 0 7.9968 -0.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3519 0.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6503 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9022 0.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5278 -0.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5089 5.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0819 3.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8763 2.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1888 0.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3545 -0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5208 -1.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8279 4.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7330 3.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5196 2.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3491 2.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4397 2.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7406 5.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3904 -0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4308 0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2656 1.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9499 3.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4640 4.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9239 -2.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6999 -0.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0003 1.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0267 -0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5447 -3.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1039 4.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1256 3.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8195 0.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1456 -0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2567 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7543 4.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3432 -4.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3291 -0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9785 1.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2227 -1.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3410 2.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4215 4.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2678 -4.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6014 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0057 2.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2668 1.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6632 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1884 -5.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6303 5.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2160 3.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1333 -0.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0459 -2.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3769 1.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 4.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2586 -4.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8389 0.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0814 2.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5926 2.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3754 -0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9194 -5.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9157 5.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6838 2.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5568 -1.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0445 -1.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 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7.7270 3.4058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8922 4.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3064 5.1490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8786 -2.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0699 -1.4078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6122 -0.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4924 2.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7013 3.7207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7170 6.5263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 0.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6574 0.9584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1782 0.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9165 -0.1277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8354 -0.7665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1642 5.5298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1112 2.4550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5578 1.6248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8420 -1.0835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9525 2.4386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1329 4.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1061 -5.2513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0431 -0.4412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 2.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5066 0.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9848 3.5818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0622 5.5820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6023 -5.4617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3868 -1.4424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1760 -1.1506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0724 1.9552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6271 5.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7578 -6.5408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8170 -1.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9728 2.5617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3663 -2.5086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4658 0.7155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9845 4.4892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2994 -6.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0345 0.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2668 3.8969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1101 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2102 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3103 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4104 1 0 0 0 0 5 11 2 0 0 0 0 5 17 1 0 0 0 0 6 12 2 0 0 0 0 6 18 1 0 0 0 0 7 13 2 0 0 0 0 7 19 1 0 0 0 0 8 14 2 0 0 0 0 8 20 1 0 0 0 0 9 15 2 0 0 0 0 9 21 1 0 0 0 0 10 16 2 0 0 0 0 10 22 1 0 0 0 0 11 28 1 0 0 0 0 12 27 1 0 0 0 0 13 26 1 0 0 0 0 14 25 1 0 0 0 0 15 24 1 0 0 0 0 16 23 1 0 0 0 0 17 34 2 0 0 0 0 17105 1 0 0 0 0 18 33 2 0 0 0 0 18106 1 0 0 0 0 19 32 2 0 0 0 0 19107 1 0 0 0 0 20 31 2 0 0 0 0 20108 1 0 0 0 0 21 30 2 0 0 0 0 21109 1 0 0 0 0 22 29 2 0 0 0 0 22110 1 0 0 0 0 23 40 2 0 0 0 0 23116 1 0 0 0 0 24 39 2 0 0 0 0 24115 1 0 0 0 0 25 38 2 0 0 0 0 25114 1 0 0 0 0 26 37 2 0 0 0 0 26113 1 0 0 0 0 27 36 2 0 0 0 0 27112 1 0 0 0 0 28 35 2 0 0 0 0 28111 1 0 0 0 0 29 40 1 0 0 0 0 29 46 1 0 0 0 0 30 39 1 0 0 0 0 30 45 1 0 0 0 0 31 38 1 0 0 0 0 31 44 1 0 0 0 0 32 37 1 0 0 0 0 32 43 1 0 0 0 0 33 36 1 0 0 0 0 33 42 1 0 0 0 0 34 35 1 0 0 0 0 34 41 1 0 0 0 0 35122 1 0 0 0 0 36121 1 0 0 0 0 37120 1 0 0 0 0 38119 1 0 0 0 0 39118 1 0 0 0 0 40117 1 0 0 0 0 41 52 3 0 0 0 0 42 51 3 0 0 0 0 43 50 3 0 0 0 0 44 49 3 0 0 0 0 45 48 3 0 0 0 0 46 47 3 0 0 0 0 47 58 1 0 0 0 0 48 57 1 0 0 0 0 49 56 1 0 0 0 0 50 55 1 0 0 0 0 51 54 1 0 0 0 0 52 53 1 0 0 0 0 53 59 1 0 0 0 0 53 70 2 0 0 0 0 54 60 1 0 0 0 0 54 69 2 0 0 0 0 55 61 1 0 0 0 0 55 68 2 0 0 0 0 56 62 1 0 0 0 0 56 67 2 0 0 0 0 57 63 1 0 0 0 0 57 66 2 0 0 0 0 58 64 1 0 0 0 0 58 65 2 0 0 0 0 59 71 2 0 0 0 0 59123 1 0 0 0 0 60 72 2 0 0 0 0 60124 1 0 0 0 0 61 73 2 0 0 0 0 61125 1 0 0 0 0 62 74 2 0 0 0 0 62126 1 0 0 0 0 63 75 2 0 0 0 0 63127 1 0 0 0 0 64 76 2 0 0 0 0 64128 1 0 0 0 0 65 77 1 0 0 0 0 65134 1 0 0 0 0 66 78 1 0 0 0 0 66133 1 0 0 0 0 67 79 1 0 0 0 0 67132 1 0 0 0 0 68 80 1 0 0 0 0 68131 1 0 0 0 0 69 81 1 0 0 0 0 69130 1 0 0 0 0 70 82 1 0 0 0 0 70129 1 0 0 0 0 71 83 1 0 0 0 0 71 89 1 0 0 0 0 72 84 1 0 0 0 0 72 90 1 0 0 0 0 73 85 1 0 0 0 0 73 91 1 0 0 0 0 74 86 1 0 0 0 0 74 92 1 0 0 0 0 75 87 1 0 0 0 0 75 93 1 0 0 0 0 76 88 1 0 0 0 0 76 94 1 0 0 0 0 77 88 2 0 0 0 0 77140 1 0 0 0 0 78 87 2 0 0 0 0 78139 1 0 0 0 0 79 86 2 0 0 0 0 79138 1 0 0 0 0 80 85 2 0 0 0 0 80137 1 0 0 0 0 81 84 2 0 0 0 0 81136 1 0 0 0 0 82 83 2 0 0 0 0 82135 1 0 0 0 0 83141 1 0 0 0 0 84142 1 0 0 0 0 85143 1 0 0 0 0 86144 1 0 0 0 0 87145 1 0 0 0 0 88146 1 0 0 0 0 89 95 3 0 0 0 0 90 96 3 0 0 0 0 91 97 3 0 0 0 0 92 98 3 0 0 0 0 93 99 3 0 0 0 0 94100 3 0 0 0 0 95 98 1 0 0 0 0 96 99 1 0 0 0 0 97100 1 0 0 0 0 M END > 23726086 > 0 > 3350 > 0 > 0 > 0 > AAADcfB8AAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAADBVAAAGAAAAAAADQCAGAAwAIAAAADAEiBCAAgCAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOwAACAAAQAACAAAQAACAAAAAAAAAAAA== > InChI=1S/C100H46/c1-2-14-68-20-8-26-74(56-68)32-38-80-44-50-86-92(62-80)100-95-65-83-41-35-77-29-11-23-71(59-77)17-5-3-15-69-21-9-27-75(57-69)33-39-81-45-51-87-93(63-81)99-91-61-79(37-31-73-25-7-19-67(13-1)55-73)43-49-85(91)97(87)88-52-46-82(64-94(88)99)40-34-76-28-10-22-70(58-76)16-4-6-18-72-24-12-30-78(60-72)36-42-84-48-54-90(96(100)66-84)98(86)89(95)53-47-83/h7-12,19-30,43-66,97-100H > JVNJKVYHZKQIRO-UHFFFAOYSA-N > 23.3 > 1247.363306 > C100H46 > 1247.43524 > C1=CC2=CC(=C1)C#CC3=CC4=C(C=C3)C5C6=C7C4C8=C5C=CC(=C8)C#CC9=CC=CC(=C9)C#CC#CC1=CC(=CC=C1)C#CC1=CC3=C(C=C1)C1C4=C(C3C3=C1C=CC(=C3)C#CC1=CC=CC(=C1)C#CC#CC1=CC(=CC=C1)C#CC(=C7)C=C6)C=C(C=C4)C#CC1=CC=CC(=C1)C#CC#C2 > C1=CC2=CC(=C1)C#CC3=CC4=C(C=C3)C5C6=C7C4C8=C5C=CC(=C8)C#CC9=CC=CC(=C9)C#CC#CC1=CC(=CC=C1)C#CC1=CC3=C(C=C1)C1C4=C(C3C3=C1C=CC(=C3)C#CC1=CC=CC(=C1)C#CC#CC1=CC(=CC=C1)C#CC(=C7)C=C6)C=C(C=C4)C#CC1=CC=CC(=C1)C#CC#C2 > 0 > 1246.359951 > 0 > 100 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 16 8 10 22 8 11 28 8 12 27 8 13 26 8 14 25 8 15 24 8 16 23 8 17 34 8 18 33 8 19 32 8 20 31 8 21 30 8 22 29 8 23 40 8 24 39 8 25 38 8 26 37 8 27 36 8 28 35 8 29 40 8 30 39 8 31 38 8 32 37 8 33 36 8 34 35 8 5 11 8 5 17 8 53 59 8 53 70 8 54 60 8 54 69 8 55 61 8 55 68 8 56 62 8 56 67 8 57 63 8 57 66 8 58 64 8 58 65 8 59 71 8 6 12 8 6 18 8 60 72 8 61 73 8 62 74 8 63 75 8 64 76 8 65 77 8 66 78 8 67 79 8 68 80 8 69 81 8 7 13 8 7 19 8 70 82 8 71 83 8 72 84 8 73 85 8 74 86 8 75 87 8 76 88 8 77 88 8 78 87 8 79 86 8 8 14 8 8 20 8 80 85 8 81 84 8 82 83 8 9 15 8 9 21 8 $$$$