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0 0 0 0 0 0 0 6.7067 -1.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.5727 0.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.8406 -1.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.5727 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.4387 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.9440 5.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.9289 5.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.6020 4.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.5716 4.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.2448 3.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.4387 -1.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.3047 -1.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.4387 1.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.3047 0.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.7066 -3.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.3047 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.5565 5.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.3047 -2.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.7066 -4.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.9028 1.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.0368 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.9028 -1.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.5727 -4.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.9028 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.4387 -4.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.4387 -3.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.0368 -1.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.6921 -3.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.0368 0.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.7688 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.1708 -3.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.7688 0.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.8406 -4.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.3047 -4.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.5727 -5.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.1708 -4.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.8406 -5.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.7066 -6.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.6349 -1.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.5009 -1.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.0990 -1.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.0990 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.5009 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.7597 -2.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.2329 -1.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 19.2896 -2.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.2329 0.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 19.9967 -1.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 20.9627 -2.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 18.3237 -2.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.3669 1.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.5009 0.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.2329 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.3669 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.0526 -3.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 21.2215 -3.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 21.6698 -1.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 20.5144 -3.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.9218 3.8546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 3.0421 3.2387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 6.0138 -0.7870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 7.5727 -2.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 5.3037 -2.9970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 9.9300 -2.1861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 10.1708 -0.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 11.9028 -1.9870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 12.7688 -2.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 14.8719 -0.8137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 18.5033 -1.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 19.1101 -4.0749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 13.8730 -4.7644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 14.9103 -4.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1 56 1 0 2 94 1 0 3 39 1 0 3 40 1 0 40 4 1 6 43 4 1 6 37 5 1 6 6 52 1 0 6 53 1 0 53 7 1 1 7 63 1 0 8 46 2 0 49 9 1 1 50 10 1 6 51 11 1 6 12 59 1 0 12 64 1 0 13 54 2 0 14 60 1 0 15 73 1 0 15 86 1 0 16 71 1 0 17 70 2 0 18 71 2 0 19 77 1 0 20 78 1 0 21 80 1 0 22 82 2 0 85 23 1 1 24 88 2 0 25 93 2 0 26 98 2 0 36 27 1 1 27102 1 0 27103 1 0 28 44 1 0 28 54 1 0 28105 1 0 29 46 1 0 29 58 1 0 29106 1 0 30 55 1 0 30 70 1 0 30108 1 0 31 65 1 0 31 82 1 0 31110 1 0 32 83 1 0 32 88 1 0 32111 1 0 84 33 1 1 33 93 1 0 33112 1 0 89 34 1 1 34101 1 0 34113 1 0 35 98 1 0 35114 1 0 35115 1 0 36 37 1 0 36 38 1 0 36 41 1 0 37 39 1 0 38 40 1 0 39 42 1 1 43 44 1 0 43 45 1 0 44 46 1 0 44104 1 1 45 47 2 0 45 48 1 0 47 56 1 0 48 57 2 0 49 50 1 0 49 51 1 0 50 52 1 0 51 53 1 0 52 60 1 1 54 55 1 0 55 61 1 0 55107 1 1 56 59 2 0 57 59 1 0 58 62 1 0 58 71 1 1 61 69 2 0 61 74 1 0 62 66 2 0 62 76 1 0 63 64 1 0 63 73 2 0 64 72 2 0 65 67 1 0 65 70 1 0 65109 1 6 66 68 1 0 66 78 1 0 67 72 1 0 67 75 2 0 68 69 1 0 68 77 2 0 73 75 1 0 74 79 2 0 76 80 2 0 77 79 1 0 78 81 2 0 80 81 1 0 82 83 1 0 83 87 1 1 84 85 1 0 84 88 1 0 85 90 1 0 86 94 2 0 86 95 1 0 87 98 1 0 89 91 1 0 89 93 1 0 90 96 2 0 90 97 1 0 91 92 1 0 92 99 1 0 92100 1 0 94 96 1 0 95 97 2 0 M END > 50 10 6 51 11 6 85 23 5 36 27 5 84 33 5 89 34 5 39 42 5 40 4 6 43 4 6 44 117 5 45 47 8 45 48 8 47 56 8 48 57 8 37 5 6 52 60 5 55 127 5 56 59 8 57 59 8 58 71 5 61 69 8 61 74 8 62 66 8 62 76 8 63 64 8 63 73 8 64 72 8 65 133 6 66 78 8 67 72 8 67 75 8 68 69 8 68 77 8 53 7 5 73 75 8 74 79 8 76 80 8 77 79 8 78 81 8 80 81 8 83 87 5 86 94 8 86 95 8 49 9 5 90 96 8 90 97 8 94 96 8 95 97 8 > InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(56(40)101-65-54(86)53(85)52(84)42(22-78)99-65)98-39-11-8-27(15-33(39)68)55(100-44-21-66(4,70)57(87)24(3)96-44)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-55,57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48+,49+,50-,51+,52+,53-,54+,55+,57-,65-,66-/m0/s1 > ATHQCOUEZPBNLP-JCXNEJHJSA-N > 1/1/N:99,100,42,41,101,74,97,48,79,95,57,91,69,96,47,75,72,76,81,87,38,60,92,39,61,90,45,67,80,68,62,94,56,89,83,77,78,86,59,73,64,52,98,40,66,55,65,58,84,44,85,50,49,51,43,63,37,93,82,54,70,88,46,71,53,36,2,1,35,27,34,32,31,30,29,33,28,14,21,19,20,26,23,10,9,11,5,25,22,13,17,24,8,16,18,3,15,12,6,4,7/E:(1,2)(94,95)/it:im/rA:176cClClOOOOOOOOOOOOOOOOOOOOOOOONNNNNNNNNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;p27;n5s36;s36;s3s37;s3n4s38;s36;P39;n4;s28s43;s43;d8s29s44;d45;s45;p9;n10s49;n11s49;s6s50;s6p7s51;d13s28;s30s54;s1s47;d48;s29;s12d56s57;s14P52;s55;s58;s7;s12s63;s31;d62;s65;s66;d61s68;d17s30s65;s16d18P58;d64s67;s15d63;s61;d67s73;s62;s19d68;s20s66;d74s77;s21d76;d78s80;d22s31;s32s82;p33;p23s84;s15;P83;d24s32s84;p34;s85;s89;s91;d25s33s89;s2d86;s86;d90s94;s90d95;d26s35s87;s92;s92;s34;s37;s38;s38;s39;s40;s41;s41;s41;s27;s27;s42;s42;s42;s43;s5;P44;s28;s47;s48;s49;s50;s51;s52;s53;s29;P55;s57;s58;s60;s60;s30;N65;s9;s10;s11;s69;s72;s74;s75;s76;s31;s14;s79;s81;s83;s84;s16;s85;s32;s87;s87;s89;s19;s91;s91;s20;s33;s92;s95;s21;s96;s97;s34;s99;s99;s99;s100;s100;s100;s23;s101;s101;s101;s35;s35;/rC:8.4387,2.813,0;15.3669,2.813,0;4.4076,.4812,0;6.1331,.6321,0;2.5079,2.3227,0;13.2296,3.9263,0;11.9028,2.813,0;4.8406,-1.687,0;11.3013,6.2244,0;13.2709,6.5717,0;10.6172,4.345,0;10.1708,1.813,0;9.302,-.6823,0;14.8985,5.9793,0;13.6349,1.813,0;8.332,-3.7857,0;11.0355,-2.687,0;8.3378,-2.2536,0;9.3047,-5.687,0;8.4387,-6.187,0;4.9746,-6.187,0;13.6349,-.187,0;17.8061,.5201,0;16.2329,-2.687,0;17.6166,-3.1189,0;13.0867,-3.1013,0;3.6597,3.2927,0;7.5727,-1.687,0;5.8406,-2.687,0;10.1708,-1.187,0;12.7688,-1.687,0;15.3669,-1.187,0;18.0649,-1.4459,0;19.5485,-3.6365,0;14.3114,-4.326,0;4.2333,2.4736,0;3.4142,1.9,0;5.1396,2.0509,0;3.5013,.9038,0;5.2268,1.0548,0;4.6559,3.3799,0;2.6822,.3303,0;6.7067,-.187,0;6.7067,-1.187,0;7.5727,.313,0;5.8406,-1.687,0;7.5727,1.313,0;8.4387,-.187,0;11.944,5.4584,0;12.9289,5.632,0;11.602,4.5187,0;13.5716,4.866,0;12.2448,3.7527,0;8.4387,-1.187,0;9.3047,-1.687,0;8.4387,1.813,0;9.3047,.313,0;6.7066,-3.187,0;9.3047,1.313,0;14.5565,5.0396,0;9.3047,-2.687,0;6.7066,-4.187,0;11.9028,1.813,0;11.0368,1.313,0;11.9028,-1.187,0;7.5727,-4.687,0;11.9028,-.187,0;8.4387,-4.187,0;8.4387,-3.187,0;11.0368,-1.687,0;7.6921,-3.0172,0;11.0368,.313,0;12.7688,1.313,0;10.1708,-3.187,0;12.7688,.313,0;5.8406,-4.687,0;9.3047,-4.687,0;7.5727,-5.687,0;10.1708,-4.187,0;5.8406,-5.687,0;6.7066,-6.187,0;13.6349,-1.187,0;14.5009,-1.687,0;17.099,-1.187,0;17.099,-.187,0;14.5009,1.313,0;14.7597,-2.653,0;16.2329,-1.687,0;19.2896,-2.6706,0;16.2329,.313,0;19.9967,-1.9635,0;20.9627,-2.2223,0;18.3237,-2.4118,0;15.3669,1.813,0;14.5009,.313,0;16.2329,1.313,0;15.3669,-.187,0;14.0526,-3.3601,0;21.2215,-3.1882,0;21.6698,-1.5152,0;20.5144,-3.8953,0;3.3602,2.5177,0;5.3001,2.6498,0;5.7573,1.9969,0;3.5553,.2862,0;5.7347,1.4104,0;4.094,3.6419,0;4.918,3.9418,0;5.2179,3.1178,0;3.9218,3.8546,0;3.0421,3.2387,0;3.0378,-.1776,0;2.1743,-.0253,0;2.3266,.8382,0;6.1078,-.0266,0;2,1.967,0;6.0138,-.787,0;7.5727,-2.307,0;7.0357,1.623,0;8.4387,-.807,0;12.1561,6.041,0;13.5394,5.7397,0;11.2035,4.9936,0;13.9702,4.3911,0;11.6342,3.645,0;5.3037,-2.997,0;9.93,-2.1861,0;9.8417,.003,0;7.1831,-2.7903,0;14.5565,4.4196,0;15.167,4.932,0;10.1708,-.567,0;11.9028,-1.987,0;11.5133,6.807,0;13.8814,6.6794,0;10.4052,3.7624,0;7.9018,-2.877,0;10.4999,.003,0;10.7077,-2.877,0;13.3058,.003,0;5.3037,-4.377,0;12.7688,-2.307,0;15.509,6.087,0;10.7077,-4.497,0;6.7066,-6.807,0;14.3404,-2.2859,0;17.2594,-1.7859,0;8.943,-3.6803,0;17.6978,-.0266,0;14.8719,-.8137,0;15.1153,-3.1608,0;15.3216,-2.3909,0;19.8885,-2.8311,0;9.8417,-5.997,0;20.2588,-1.4016,0;19.4889,-1.6079,0;8.4387,-6.807,0;18.5033,-1.0074,0;21.5615,-2.3828,0;13.964,.003,0;4.9746,-6.807,0;16.7699,1.623,0;15.3669,-.807,0;19.1101,-4.0749,0;21.8204,-3.0278,0;21.382,-3.7871,0;20.6226,-3.3487,0;21.2314,-1.0768,0;22.1082,-1.0768,0;22.1082,-1.9536,0;18.4049,.3596,0;20.6748,-3.2965,0;21.1133,-4.0558,0;20.3539,-4.4942,0;13.873,-4.7644,0;14.9103,-4.4865,0; > C66 H75 Cl2 N9 O24 > 1449.254 > ClC1=C2C([H])=C([H])C(=C1[H])[C@]([H])([C@@]1([H])C(N([H])[C@@]([H])(C(=O)O[H])C3C([H])=C(C([H])=C(C=3C3=C(C([H])=C([H])C(=C3[H])[C@]([H])(C(N1[H])=O)N([H])C([C@@]1([H])C3=C([H])C(=C(C(=C3[H])O2)O[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O2)O[H])O[H])O[H])OC2C([H])=C([H])C(=C([H])C=2Cl)[C@]([H])([C@]([H])(C(N([H])[C@@]([H])(C([H])([H])C(N([H])[H])=O)C(N1[H])=O)=O)N([H])C([C@@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C([H])([H])[H])=O)O[H])=O)O[H])O[H])O[H])=O)O[C@@]1([H])C([H])([H])[C@@](C([H])([H])[H])([C@]([H])([C@]([H])(C([H])([H])[H])O1)O[H])N([H])[H] > 169334 $$$$