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0 0 0 0 0 0 0 4.7553 4.9991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 7.1672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 5.6672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6353 -2.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2211 -2.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.1672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -1.3328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5263 -0.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -6.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.6672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6594 -3.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2688 -3.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9700 -4.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6809 -3.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.1672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6603 4.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3022 -5.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 -3.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3237 -4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2271 5.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 4.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2486 5.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8949 6.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9379 6.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5842 7.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6057 7.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5010 -3.4842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0737 -2.9783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0737 -2.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7827 -2.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7827 -2.9783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -4.1393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -4.8296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.6428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 -4.8546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -4.1644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.4528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.9528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.8077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.8077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -1.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -1.9404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 0.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.1428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.8077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.8077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.2872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.8572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8582 -3.2238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -7.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -7.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -6.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -5.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 2.5846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 3.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3303 -4.8629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.7872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4882 -2.6208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 3.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 4.7498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 4.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4948 -5.7005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.9772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4064 -3.8266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9096 -5.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 4.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 4.7498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 4.0846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 4.7749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.1428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.7872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -1.6428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4534 -1.6428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 3.6554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1389 4.9322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5016 6.2724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3312 6.9405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9983 7.8122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4131 8.1463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 7.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 7.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 5.9772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 5.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 2 0 0 0 0 2 31 2 0 0 0 0 3 36 2 0 0 0 0 4 40 2 0 0 0 0 5 49 2 0 0 0 0 6 54 2 0 0 0 0 7 24 1 0 0 0 0 7 31 1 0 0 0 0 7 82 1 0 0 0 0 8 29 1 0 0 0 0 8 33 1 0 0 0 0 8 85 1 0 0 0 0 9 30 1 0 0 0 0 9 39 2 0 0 0 0 10 32 1 0 0 0 0 10 40 1 0 0 0 0 10 92 1 0 0 0 0 11 36 1 0 0 0 0 11 44 1 0 0 0 0 11 95 1 0 0 0 0 12 39 1 0 0 0 0 12101 1 0 0 0 0 12102 1 0 0 0 0 13 39 1 0 0 0 0 13103 1 0 0 0 0 13104 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14107 1 0 0 0 0 15 42 1 0 0 0 0 15 54 1 0 0 0 0 15110 1 0 0 0 0 16 41 1 0 0 0 0 16 60 2 0 0 0 0 17 49 1 0 0 0 0 17 51 1 0 0 0 0 17116 1 0 0 0 0 18 59 1 0 0 0 0 18 71 2 0 0 0 0 19 60 1 0 0 0 0 19125 1 0 0 0 0 19126 1 0 0 0 0 20 60 1 0 0 0 0 20127 1 0 0 0 0 20128 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 21133 1 0 0 0 0 22 71 1 0 0 0 0 22138 1 0 0 0 0 22139 1 0 0 0 0 23 71 1 0 0 0 0 23140 1 0 0 0 0 23141 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 25 75 1 0 0 0 0 26 76 1 0 0 0 0 26 77 1 0 0 0 0 27 78 1 0 0 0 0 27 79 1 0 0 0 0 28 30 1 0 0 0 0 28 80 1 0 0 0 0 28 81 1 0 0 0 0 30 83 1 0 0 0 0 30 84 1 0 0 0 0 31 32 1 0 0 0 0 32 34 1 1 0 0 0 32 86 1 0 0 0 0 33 35 1 1 0 0 0 33 36 1 0 0 0 0 33 87 1 0 0 0 0 34 37 1 0 0 0 0 34 88 1 0 0 0 0 34 89 1 0 0 0 0 35 38 1 0 0 0 0 35 90 1 0 0 0 0 35 91 1 0 0 0 0 37 41 1 0 0 0 0 37 93 1 0 0 0 0 37 94 1 0 0 0 0 38 43 1 0 0 0 0 38 45 2 0 0 0 0 40 42 1 0 0 0 0 41 96 1 0 0 0 0 41 97 1 0 0 0 0 42 47 1 1 0 0 0 42 98 1 0 0 0 0 43 46 1 0 0 0 0 43 50 2 0 0 0 0 44 48 1 1 0 0 0 44 49 1 0 0 0 0 44 99 1 0 0 0 0 45100 1 0 0 0 0 46 53 2 0 0 0 0 47 52 1 0 0 0 0 47105 1 0 0 0 0 47106 1 0 0 0 0 48 55 1 0 0 0 0 48108 1 0 0 0 0 48109 1 0 0 0 0 50 56 1 0 0 0 0 50111 1 0 0 0 0 51 54 1 0 0 0 0 51 58 1 1 0 0 0 51112 1 0 0 0 0 52 59 1 0 0 0 0 52113 1 0 0 0 0 52114 1 0 0 0 0 53 57 1 0 0 0 0 53115 1 0 0 0 0 55 62 2 0 0 0 0 55 63 1 0 0 0 0 56 57 2 0 0 0 0 56117 1 0 0 0 0 57118 1 0 0 0 0 58 61 1 0 0 0 0 58119 1 0 0 0 0 58120 1 0 0 0 0 59121 1 0 0 0 0 59122 1 0 0 0 0 61 64 1 0 0 0 0 61 67 2 0 0 0 0 62 65 1 0 0 0 0 62123 1 0 0 0 0 63 66 2 0 0 0 0 63124 1 0 0 0 0 64 68 1 0 0 0 0 64 70 2 0 0 0 0 65 69 2 0 0 0 0 65130 1 0 0 0 0 66 69 1 0 0 0 0 66131 1 0 0 0 0 67129 1 0 0 0 0 68 72 2 0 0 0 0 69132 1 0 0 0 0 70 73 1 0 0 0 0 70134 1 0 0 0 0 72 74 1 0 0 0 0 72135 1 0 0 0 0 73 74 2 0 0 0 0 73136 1 0 0 0 0 74137 1 0 0 0 0 M END > 71524447 > 1 > 2030 > 9 > 14 > 17 > AAADcfB/+AAAAAAAAAAAAAAAAABgAWLAAAAwYMAAAAAAAFgB/gAAHgAQAAAADajBngQ9wPLJkACoAzV3dACCgCExAiAI2aG4ZJgIYPLAkbGUIAhglgDIyAcYicCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > 2-[2-[(7S,10S,13S,16S,19S)-16-benzyl-7,10-bis(3-guanidinopropyl)-13,19-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaoxo-5,8,11,14,17,20-hexazaspiro[3.17]henicosan-2-yl]ethyl]guanidine > 2-[2-[(7S,10S,13S,16S,19S)-7,10-bis[3-(diaminomethylideneamino)propyl]-13,19-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaoxo-16-(phenylmethyl)-5,8,11,14,17,20-hexazaspiro[3.17]heneicosan-2-yl]ethyl]guanidine > 2-[2-[(7S,10S,13S,16S,19S)-16-benzyl-7,10-bis[3-(diaminomethylideneamino)propyl]-13,19-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaoxo-5,8,11,14,17,20-hexazaspiro[3.17]henicosan-2-yl]ethyl]guanidine > 2-[2-[(7S,10S,13S,16S,19S)-16-benzyl-7,10-bis[3-(diaminomethylideneamino)propyl]-13,19-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaoxo-5,8,11,14,17,20-hexazaspiro[3.17]henicosan-2-yl]ethyl]guanidine > 2-[3-[(7S,10S,13S,16S,19S)-2-[2-[bis(azanyl)methylideneamino]ethyl]-7-[3-[bis(azanyl)methylideneamino]propyl]-13,19-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexakis(oxidanylidene)-16-(phenylmethyl)-5,8,11,14,17,20-hexazaspiro[3.17]henicosan-10-yl]propyl]guanidine > 2-[2-[(7S,10S,13S,16S,19S)-16-benzyl-7,10-bis(3-guanidinopropyl)-13,19-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaketo-5,8,11,14,17,20-hexazaspiro[3.17]heneicosan-2-yl]ethyl]guanidine > InChI=1S/C51H67N17O6/c52-48(53)58-19-8-16-37-42(69)64-38(17-9-20-59-49(54)55)46(73)68-51(25-30(26-51)18-21-60-50(56)57)47(74)67-41(24-32-28-62-36-15-7-5-13-34(32)36)45(72)65-39(22-29-10-2-1-3-11-29)43(70)66-40(44(71)63-37)23-31-27-61-35-14-6-4-12-33(31)35/h1-7,10-15,27-28,30,37-41,61-62H,8-9,16-26H2,(H,63,71)(H,64,69)(H,65,72)(H,66,70)(H,67,74)(H,68,73)(H4,52,53,58)(H4,54,55,59)(H4,56,57,60)/t30?,37-,38-,39-,40-,41-,51?/m0/s1 > YSDUAUBZPCWYLR-JZHGJBETSA-N > 0.1 > 1013.54602292 > C51H67N17O6 > 1014.2 > C1C(CC12C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CCCN=C(N)N)CCCN=C(N)N)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CNC7=CC=CC=C76)CCN=C(N)N > C1C(CC12C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCCN=C(N)N)CCCN=C(N)N)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CNC7=CC=CC=C76)CCN=C(N)N > 399 > 1013.54602292 > 0 > 74 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 45 8 14 46 8 21 67 8 21 68 8 32 34 5 33 35 5 38 43 8 38 45 8 42 47 5 43 46 8 43 50 8 44 48 5 46 53 8 50 56 8 51 58 5 53 57 8 55 62 8 55 63 8 56 57 8 61 64 8 61 67 8 62 65 8 63 66 8 64 68 8 64 70 8 65 69 8 66 69 8 68 72 8 70 73 8 72 74 8 73 74 8 $$$$