16156261 -OEChem-05231313032D 116152 0 1 0 0 0 0 0999 V2000 4.7950 -1.7556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2467 2.9375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1154 0.7301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0812 5.9329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5774 0.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2187 -2.0132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3526 -1.5132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6215 1.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3524 -2.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4647 1.3920 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9786 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2347 1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0847 -1.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3526 -0.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0847 -0.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2187 -0.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2347 -3.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4426 -2.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3764 1.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8470 2.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8847 -0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9786 -2.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4426 -0.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9433 -3.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4490 1.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6209 0.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8316 2.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2228 -3.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8558 -0.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8847 -1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4346 1.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 -3.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4346 -3.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8192 2.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8011 3.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7925 -1.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4095 2.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1844 -1.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8364 2.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4207 -2.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4212 1.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4010 -4.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9411 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6139 -4.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4037 -3.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9720 0.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9356 4.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0687 -3.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 0.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8961 -0.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0100 3.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6182 -4.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7403 -2.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6352 -4.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8983 3.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9498 4.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8572 -5.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2350 -0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8134 -3.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2256 0.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5438 -5.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8731 2.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8548 -5.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8845 -2.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6818 -4.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7984 -4.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -2.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8109 -5.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8569 -3.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2777 -3.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8419 -4.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6865 -0.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2351 -0.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1915 3.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8857 -4.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7676 -1.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4854 -3.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8001 -3.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1130 -2.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4578 -2.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2376 -0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6728 -0.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2992 4.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0286 4.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6778 -0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1129 0.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2441 5.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9735 5.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3351 -3.5086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3833 -2.9514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0131 1.2686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1215 0.4848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0639 -1.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8563 2.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2916 -4.3204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0629 -3.4180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8447 0.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7281 -0.0735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4789 -4.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8662 -3.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2747 -0.8491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0880 -0.8151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -2.8802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2044 -4.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6349 -2.0758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0062 -3.0036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9663 -1.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2912 0.0159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7802 4.0483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5819 4.2030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0593 -0.2128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3842 1.3582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6909 5.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4925 5.8206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 2 0 0 0 0 1 75 1 0 0 0 0 2 38 2 0 0 0 0 2 76 1 0 0 0 0 3 87 2 0 0 0 0 3 88 1 0 0 0 0 4 89 2 0 0 0 0 4 90 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 25 1 0 0 0 0 9 37 1 0 0 0 0 10 26 1 0 0 0 0 10 38 1 0 0 0 0 11 15 1 0 0 0 0 11 21 2 0 0 0 0 12 16 1 0 0 0 0 12 22 2 0 0 0 0 13 15 2 0 0 0 0 13 23 1 0 0 0 0 14 16 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 17 29 2 0 0 0 0 17 33 1 0 0 0 0 18 30 1 0 0 0 0 18 34 2 0 0 0 0 19 27 1 0 0 0 0 19 35 2 0 0 0 0 20 28 1 0 0 0 0 20 36 2 0 0 0 0 21 27 1 0 0 0 0 21 31 1 0 0 0 0 22 28 1 0 0 0 0 22 32 1 0 0 0 0 23 29 1 0 0 0 0 23 31 2 0 0 0 0 24 30 2 0 0 0 0 24 32 1 0 0 0 0 25 60 1 0 0 0 0 25 91 1 0 0 0 0 25 92 1 0 0 0 0 26 61 1 0 0 0 0 26 93 1 0 0 0 0 26 94 1 0 0 0 0 27 39 2 0 0 0 0 28 40 2 0 0 0 0 29 43 1 0 0 0 0 30 44 1 0 0 0 0 31 41 1 0 0 0 0 32 42 2 0 0 0 0 33 34 1 0 0 0 0 33 45 2 0 0 0 0 34 46 1 0 0 0 0 35 36 1 0 0 0 0 35 47 1 0 0 0 0 36 48 1 0 0 0 0 37 95 1 0 0 0 0 38 96 1 0 0 0 0 39 41 1 0 0 0 0 39 51 1 0 0 0 0 40 42 1 0 0 0 0 40 52 1 0 0 0 0 41 49 2 0 0 0 0 42 50 1 0 0 0 0 43 49 1 0 0 0 0 43 53 2 0 0 0 0 44 50 1 0 0 0 0 44 54 2 0 0 0 0 45 53 1 0 0 0 0 45 55 1 0 0 0 0 46 54 1 0 0 0 0 46 55 2 0 0 0 0 47 51 2 0 0 0 0 47 56 1 0 0 0 0 48 52 2 0 0 0 0 48 57 1 0 0 0 0 49 58 1 0 0 0 0 50 59 2 0 0 0 0 51 62 1 0 0 0 0 52 63 1 0 0 0 0 53 64 1 0 0 0 0 54 65 1 0 0 0 0 55 66 1 0 0 0 0 56 57 2 0 0 0 0 56 67 1 0 0 0 0 57 68 1 0 0 0 0 58 62 1 0 0 0 0 58 64 2 0 0 0 0 59 63 1 0 0 0 0 59 65 1 0 0 0 0 60 73 1 0 0 0 0 60 97 1 0 0 0 0 60 98 1 0 0 0 0 61 74 1 0 0 0 0 61 99 1 0 0 0 0 61100 1 0 0 0 0 62 67 2 0 0 0 0 63 68 2 0 0 0 0 64 69 1 0 0 0 0 65 70 2 0 0 0 0 66 69 2 0 0 0 0 66 70 1 0 0 0 0 67 71 1 0 0 0 0 68 72 1 0 0 0 0 69 71 1 0 0 0 0 70 72 1 0 0 0 0 71 72 2 0 0 0 0 73 77 1 0 0 0 0 73101 1 0 0 0 0 73102 1 0 0 0 0 74 78 1 0 0 0 0 74103 1 0 0 0 0 74104 1 0 0 0 0 75 83 2 0 0 0 0 75 84 1 0 0 0 0 76 85 2 0 0 0 0 76 86 1 0 0 0 0 77 79 2 0 0 0 0 77 80 1 0 0 0 0 78 81 2 0 0 0 0 78 82 1 0 0 0 0 79 81 1 0 0 0 0 79105 1 0 0 0 0 80 82 2 0 0 0 0 80106 1 0 0 0 0 81107 1 0 0 0 0 82108 1 0 0 0 0 83 87 1 0 0 0 0 83109 1 0 0 0 0 84 88 2 0 0 0 0 84110 1 0 0 0 0 85 89 1 0 0 0 0 85111 1 0 0 0 0 86 90 2 0 0 0 0 86112 1 0 0 0 0 87113 1 0 0 0 0 88114 1 0 0 0 0 89115 1 0 0 0 0 90116 1 0 0 0 0 M END > 16156261 > 0 > 4890 > 4 > 0 > 4 > AAADceB/gAAAAAAAAAAAAAAAGDAAAYMGDBA8eMGDBggAAAAB9AAAHAAAAAAADgjBGgQ8wNIIEACgAjRnRACCgCAxAiAI2CA4ZJgIIGLA0dGEJAhggADIyAcQgMAPwAACAAAQAACAAAQAACAAAQAACAAAAA== > InChI=1S/C86H26N4/c1-3-21-5-7-22(8-6-21)4-2-14-82(20-90-24-11-17-88-18-12-24)84-75-61-53-42-34-27-25-26-28-33(27)46(53)54-43-35(28)32-37-30(26)39-38-29(25)36-31(34)40-47-55-44(36)49(38)59-60-50(39)45(37)56-48-41(32)52(43)64-68-58(48)70-66(56)74(60)83-73(59)65(55)69-57(47)67(63(75)51(40)42)77(84)71-72(78(68)85(82,84)76(64)62(54)61)80(70)86(83,79(69)71)81(83,13-1)19-89-23-9-15-87-16-10-23/h5-12,15-20H,1-4,13-14H2 > PQHJGVDZLXPPKZ-UHFFFAOYSA-N > 15.5 > 1114.215747 > C86H26N4 > 1115.15344 > C1CC2=CC=C(CCCC3(C45C36C7=C8C9=C3C%10=C%11C9=C9C%12=C%13C%14=C%15C(=C6C8=C9%14)C6=C4C4=C8C5=C5C7=C3C3=C5C5=C8C7=C8C5=C5C3=C%10C3=C5C5=C8C8=C9C5=C5C3=C%11C%12=C5C3=C%13C5%10C%15(C6=C6C4=C7C8=C6C5=C93)C%10(C1)C=NC1=CC=NC=C1)C=NC1=CC=NC=C1)C=C2 > C1CC2=CC=C(CCCC3(C45C36C7=C8C9=C3C%10=C%11C9=C9C%12=C%13C%14=C%15C(=C6C8=C9%14)C6=C4C4=C8C5=C5C7=C3C3=C5C5=C8C7=C8C5=C5C3=C%10C3=C5C5=C8C8=C9C5=C5C3=C%11C%12=C5C3=C%13C5%10C%15(C6=C6C4=C7C8=C6C5=C93)C%10(C1)C=NC1=CC=NC=C1)C=NC1=CC=NC=C1)C=C2 > 50.5 > 1114.215747 > 0 > 90 > 0 > 3 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 38 3 11 15 8 11 21 8 12 16 8 12 22 8 13 15 8 13 23 8 14 16 8 14 24 8 15 16 8 17 29 8 17 33 8 18 30 8 18 34 8 19 27 8 19 35 8 20 28 8 20 36 8 21 27 8 21 31 8 22 28 8 22 32 8 23 29 8 23 31 8 24 30 8 24 32 8 27 39 8 28 40 8 29 43 8 3 87 8 3 88 8 30 44 8 31 41 8 32 42 8 33 34 8 33 45 8 34 46 8 35 36 8 35 47 8 36 48 8 39 41 8 39 51 8 4 89 8 4 90 8 40 42 8 40 52 8 41 49 8 42 50 8 43 49 8 43 53 8 44 50 8 44 54 8 45 53 8 45 55 8 46 54 8 46 55 8 47 51 8 47 56 8 48 52 8 48 57 8 49 58 8 50 59 8 51 62 8 52 63 8 53 64 8 54 65 8 55 66 8 56 57 8 56 67 8 57 68 8 58 62 8 58 64 8 59 63 8 59 65 8 6 17 3 62 67 8 63 68 8 64 69 8 65 70 8 66 69 8 66 70 8 67 71 8 68 72 8 69 71 8 7 18 3 70 72 8 71 72 8 75 83 8 75 84 8 76 85 8 76 86 8 77 79 8 77 80 8 78 81 8 78 82 8 79 81 8 80 82 8 83 87 8 84 88 8 85 89 8 86 90 8 $$$$