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0 3 0 0 0 0 0 0 0 0 0 10.9333 -1.3061 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3997 -3.4503 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1064 -2.5412 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8439 -1.0454 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8439 -0.0712 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3802 -4.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5164 -3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9007 0.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3270 -3.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8997 -4.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1647 -2.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5629 -1.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8328 0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0081 0.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8715 -1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6090 1.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9297 -1.0780 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6673 1.3920 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9297 -0.1038 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3414 2.3011 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8715 0.1569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8997 -4.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3671 2.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2493 -4.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4940 -2.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0738 1.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4560 -0.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1322 1.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3205 -2.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 -1.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3439 1.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6418 -2.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1339 0.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9171 3.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3610 3.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4142 2.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3997 -5.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4449 -0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2116 0.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4967 4.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4492 -1.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4157 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0723 4.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0570 -1.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6802 -1.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2409 -1.8444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7832 -3.3849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6702 -2.9818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4147 -0.8033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8788 -1.3037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7690 -4.3464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1718 -5.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7287 -0.6124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1889 -3.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0428 -3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8439 -2.5103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1391 -4.3443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9178 -3.9414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5149 -3.1626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7920 -4.9269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4823 -4.5284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1292 -1.9929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9099 -1.2266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3774 0.3738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6356 0.6653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6197 0.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1099 1.5268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3965 1.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0963 1.8395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3742 -0.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0558 2.8514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4331 0.5953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0074 -3.7057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3171 -4.1043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0398 -0.5212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0341 -2.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0781 -3.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9538 -3.4054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9114 -1.0009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6533 -1.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8559 0.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6938 1.5370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0242 -0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3428 -0.9009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7644 1.3212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7995 2.1973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9234 2.2324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0480 -1.8571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4632 -2.6294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2355 -2.2142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5892 0.9224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 1.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3544 2.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4258 3.4732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9810 3.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3572 3.9210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7410 3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6022 3.1951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8234 2.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2262 2.0135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7944 -6.2516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7205 -6.2582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 -0.3056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5469 -0.4063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0594 4.4656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9880 3.6718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6356 -3.2350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8893 -4.0071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0897 -5.7193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0897 -4.6454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8414 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1513 -2.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1277 -1.4690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6016 -0.8930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8597 -0.6015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 -0.2809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0088 6.2582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0345 5.8068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1953 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0666 -2.4562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1651 -1.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 44 2 0 0 0 0 2 49 2 0 0 0 0 3 57 2 0 0 0 0 4 58 2 0 0 0 0 5 61 2 0 0 0 0 6 62 2 0 0 0 0 7 63 2 0 0 0 0 8 19 1 0 0 0 0 8 23 1 0 0 0 0 8 70 1 0 0 0 0 9 21 1 0 0 0 0 9 28 1 0 0 0 0 9 73 1 0 0 0 0 10 35 1 0 0 0 0 10 41 1 0 0 0 0 10 95 1 0 0 0 0 11 38 1 0 0 0 0 11 46 1 0 0 0 0 11101 1 0 0 0 0 12 44 1 0 0 0 0 12121 1 0 0 0 0 12122 1 0 0 0 0 13 49 1 0 0 0 0 13127 1 0 0 0 0 13128 1 0 0 0 0 14 57 1 0 0 0 0 14129 1 0 0 0 0 14130 1 0 0 0 0 15 58 1 0 0 0 0 15 64 1 0 0 0 0 15131 1 0 0 0 0 16 61 1 0 0 0 0 16132 1 0 0 0 0 16133 1 0 0 0 0 17 62 1 0 0 0 0 17136 1 0 0 0 0 17137 1 0 0 0 0 18 63 1 0 0 0 0 18138 1 0 0 0 0 18139 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 20 29 1 0 0 0 0 21 24 1 0 0 0 0 21 66 1 0 0 0 0 22 23 1 0 0 0 0 22 30 1 0 0 0 0 22 67 1 0 0 0 0 23 31 1 0 0 0 0 23 68 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 24 69 1 0 0 0 0 25 28 1 0 0 0 0 25 33 1 0 0 0 0 25 34 1 0 0 0 0 26 44 1 0 0 0 0 26 71 1 0 0 0 0 26 72 1 0 0 0 0 27 74 1 0 0 0 0 27 75 1 0 0 0 0 27 76 1 0 0 0 0 28 36 2 3 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 29 79 1 0 0 0 0 30 42 1 0 0 0 0 30 80 1 0 0 0 0 30 81 1 0 0 0 0 31 35 2 3 0 0 0 31 45 1 0 0 0 0 32 49 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 33 47 1 0 0 0 0 33 84 1 0 0 0 0 33 85 1 0 0 0 0 34 86 1 0 0 0 0 34 87 1 0 0 0 0 34 88 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 36 51 1 0 0 0 0 37 39 1 0 0 0 0 37 50 1 0 0 0 0 37 52 1 0 0 0 0 38 40 1 0 0 0 0 38 89 1 0 0 0 0 39 41 1 0 0 0 0 39 53 1 0 0 0 0 39 90 1 0 0 0 0 40 43 1 0 0 0 0 40 54 1 0 0 0 0 40 91 1 0 0 0 0 41 48 1 0 0 0 0 41 92 1 0 0 0 0 42 57 1 0 0 0 0 42 93 1 0 0 0 0 42 94 1 0 0 0 0 43 46 1 0 0 0 0 43 55 1 0 0 0 0 43 56 1 0 0 0 0 45 96 1 0 0 0 0 45 97 1 0 0 0 0 45 98 1 0 0 0 0 46 48 2 3 0 0 0 47 58 1 0 0 0 0 47 99 1 0 0 0 0 47100 1 0 0 0 0 48102 1 0 0 0 0 50 61 1 0 0 0 0 50103 1 0 0 0 0 50104 1 0 0 0 0 51105 1 0 0 0 0 51106 1 0 0 0 0 51107 1 0 0 0 0 52108 1 0 0 0 0 52109 1 0 0 0 0 52110 1 0 0 0 0 53 59 1 0 0 0 0 53111 1 0 0 0 0 53112 1 0 0 0 0 54 60 1 0 0 0 0 54113 1 0 0 0 0 54114 1 0 0 0 0 55115 1 0 0 0 0 55116 1 0 0 0 0 55117 1 0 0 0 0 56118 1 0 0 0 0 56119 1 0 0 0 0 56120 1 0 0 0 0 59 62 1 0 0 0 0 59123 1 0 0 0 0 59124 1 0 0 0 0 60 63 1 0 0 0 0 60125 1 0 0 0 0 60126 1 0 0 0 0 64 65 1 0 0 0 0 64134 1 0 0 0 0 64135 1 0 0 0 0 65140 1 0 0 0 0 65141 1 0 0 0 0 65142 1 0 0 0 0 M END > 74829792 > 1 > 2070 > 11 > 11 > 19 > AAADcfB/+AAAAAAAAAAAAAAAAAAAAWLFiwAAAAAAAAAAAAAAAAAAHgAQAAAAD6jBgAQCAALAAACIAiVSUACAAAAgAgAACIEIAAgAQBIAgAAUAAAAlgCIAAMcicCfgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 3-[2,7,18-tris(2-amino-2-oxo-ethyl)-3,13-bis(3-amino-3-oxo-propyl)-17-[3-(ethylamino)-3-oxo-propyl]-1,2,5,7,12,12,15,17-octamethyl-3,4,8,9,13,14,18,19,21,22,23,24-dodecahydrocorrin-8-yl]propanamide > 3-[2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(ethylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-3,4,8,9,13,14,18,19,21,22,23,24-dodecahydrocorrin-8-yl]propanamide > 3-[2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(ethylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-3,4,8,9,13,14,18,19,21,22,23,24-dodecahydrocorrin-8-yl]propanamide > 3-[2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(ethylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-3,4,8,9,13,14,18,19,21,22,23,24-dodecahydrocorrin-8-yl]propanamide > 3-[2,7,18-tris(2-azanyl-2-oxidanylidene-ethyl)-3,13-bis(3-azanyl-3-oxidanylidene-propyl)-17-[3-(ethylamino)-3-oxidanylidene-propyl]-1,2,5,7,12,12,15,17-octamethyl-3,4,8,9,13,14,18,19,21,22,23,24-dodecahydrocorrin-8-yl]propanamide > 3-[2,7,18-tris(2-amino-2-keto-ethyl)-3,13-bis(3-amino-3-keto-propyl)-17-[3-(ethylamino)-3-keto-propyl]-1,2,5,7,12,12,15,17-octamethyl-3,4,8,9,13,14,18,19,21,22,23,24-dodecahydrocorrin-8-yl]propionamide > InChI=1S/C47H77N11O7/c1-10-54-37(65)17-18-44(6)28(19-34(51)62)42-47(9)46(8,22-36(53)64)27(13-16-33(50)61)39(58-47)24(3)41-45(7,21-35(52)63)25(11-14-31(48)59)29(55-41)20-30-43(4,5)26(12-15-32(49)60)38(56-30)23(2)40(44)57-42/h20,25-29,38-39,42,55-58H,10-19,21-22H2,1-9H3,(H2,48,59)(H2,49,60)(H2,50,61)(H2,51,62)(H2,52,63)(H2,53,64)(H,54,65) > WNRJEFTZPRBDAI-UHFFFAOYSA-N > -1.9 > 907.60074384 > C47H77N11O7 > 908.2 > CCNC(=O)CCC1(C(C2C3(C(C(C(N3)C(=C4C(C(C(N4)C=C5C(C(C(N5)C(=C1N2)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C > CCNC(=O)CCC1(C(C2C3(C(C(C(N3)C(=C4C(C(C(N4)C=C5C(C(C(N5)C(=C1N2)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C > 336 > 907.60074384 > 0 > 65 > 0 > 12 > 0 > 3 > 0 > 1 > -1 > 1 5 255 > 19 27 3 20 29 3 22 30 3 23 31 3 24 32 3 25 34 3 28 36 1 31 35 1 38 36 3 37 52 3 39 53 3 40 54 3 41 48 3 46 48 1 21 9 3 $$$$