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0 0 0 0 0 0 0 0 7.7058 -0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1412 0.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5611 1.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 2.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3195 -1.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1121 2.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3185 1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2461 2.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9782 2.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7443 2.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2461 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3801 2.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9782 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1121 4.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 2.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6742 -1.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7443 3.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7584 4.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 2.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3185 4.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6398 5.1900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5611 5.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 2.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 4.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7162 3.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0077 -2.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3617 -0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0288 -2.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3828 -0.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7164 -1.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3467 -3.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7002 -1.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3254 -2.9014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1015 -4.5442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5696 -6.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6983 -6.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2874 -7.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7201 -2.5587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0176 -3.6265 0.0000 H 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 8.6192 2.8675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0071 2.2397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9644 -0.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4753 1.3252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8492 2.3303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5151 2.4088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3469 2.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7092 4.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5151 4.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0510 3.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7810 5.5089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0911 4.3661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2495 1.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0466 1.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1246 3.6112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7261 4.3014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9348 4.5805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8492 4.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1196 5.5274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0782 5.3966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3291 4.4795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1714 2.8265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 2.1362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0466 4.6938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2495 4.6938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8621 3.3171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3188 4.0655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5704 4.5223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2014 -3.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7749 -0.3659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 4.3014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1714 3.6112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1891 -0.0347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0549 6.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5472 -3.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5133 -0.5495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -3.3652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 -1.7828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 86 1 0 0 0 0 2 25 1 0 0 0 0 2 36 1 0 0 0 0 3 25 2 0 0 0 0 4 32 2 0 0 0 0 5 42 1 0 0 0 0 5117 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 57 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 58 1 0 0 0 0 10 59 1 0 0 0 0 10 60 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 61 1 0 0 0 0 12 13 1 0 0 0 0 12 62 1 0 0 0 0 12 63 1 0 0 0 0 13 64 1 0 0 0 0 13 65 1 0 0 0 0 14 66 1 0 0 0 0 14 67 1 0 0 0 0 14 68 1 0 0 0 0 15 69 1 0 0 0 0 15 70 1 0 0 0 0 15 71 1 0 0 0 0 16 72 1 0 0 0 0 16 73 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 19 74 1 0 0 0 0 19 75 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 20 76 1 0 0 0 0 21 22 1 0 0 0 0 21 77 1 0 0 0 0 21 78 1 0 0 0 0 22 79 1 0 0 0 0 22 80 1 0 0 0 0 23 27 1 0 0 0 0 23 81 1 0 0 0 0 23 82 1 0 0 0 0 24 83 1 0 0 0 0 24 84 1 0 0 0 0 24 85 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 27 87 1 0 0 0 0 27 88 1 0 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 29 33 2 0 0 0 0 29 89 1 0 0 0 0 30 37 2 3 0 0 0 30 90 1 0 0 0 0 31 34 2 0 0 0 0 31 91 1 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 92 1 0 0 0 0 34 38 1 0 0 0 0 35 39 1 0 0 0 0 35 40 1 0 0 0 0 35 93 1 0 0 0 0 36 47 2 0 0 0 0 36 48 1 0 0 0 0 37 41 1 0 0 0 0 37 46 1 0 0 0 0 38 42 1 0 0 0 0 38 94 1 0 0 0 0 38 95 1 0 0 0 0 39 45 1 0 0 0 0 39 98 1 0 0 0 0 39 99 1 0 0 0 0 40 44 1 0 0 0 0 40 96 1 0 0 0 0 40 97 1 0 0 0 0 41 43 1 0 0 0 0 41100 1 0 0 0 0 41101 1 0 0 0 0 42 43 1 0 0 0 0 42102 1 0 0 0 0 43103 1 0 0 0 0 43104 1 0 0 0 0 44 49 1 0 0 0 0 44105 1 0 0 0 0 44106 1 0 0 0 0 45 49 1 0 0 0 0 45107 1 0 0 0 0 45108 1 0 0 0 0 46109 1 0 0 0 0 46110 1 0 0 0 0 46111 1 0 0 0 0 47 50 1 0 0 0 0 47112 1 0 0 0 0 48 51 2 0 0 0 0 48113 1 0 0 0 0 49114 1 0 0 0 0 49115 1 0 0 0 0 50 52 1 0 0 0 0 50 53 2 0 0 0 0 51 52 1 0 0 0 0 51116 1 0 0 0 0 52 54 2 0 0 0 0 53 55 1 0 0 0 0 53118 1 0 0 0 0 54 56 1 0 0 0 0 54119 1 0 0 0 0 55 56 2 0 0 0 0 55120 1 0 0 0 0 56121 1 0 0 0 0 M END > 4083650 > 1 > 1420 > 5 > 2 > 8 > AAADcfB+OAAAAAAAAAAAAAAAAABgAYAAAAAwYMGDAAAAAADBVAAAHgAACAAAD1ThmAYyDsMABgCIAqBSGAACCAAkIAAIiAEOCMgONjKEtRqMcyAkxhGYqYeYyPCP4AADAAAQAADAAAYAACAAAYAADAAAAA== > InChI=1S/C50H65NO5/c1-33-11-10-25-49(4)44(42-23-17-34(27-40(52)21-16-33)28-43(42)46(53)36-13-6-5-7-14-36)24-26-50(49,55)32-51(31-38-18-20-39-30-45(38)48(39,2)3)47(54)56-41-22-19-35-12-8-9-15-37(35)29-41/h8-9,11-12,15,17,19,22-23,28-29,36,38-40,44-45,52,55H,5-7,10,13-14,16,18,20-21,24-27,30-32H2,1-4H3 > OHOHDBULLPSYKO-UHFFFAOYSA-N > 11.2 > 759.486274 > C50H65NO5 > 760.0548 > CC1=CCCC2(C(CCC2(CN(CC3CCC4CC3C4(C)C)C(=O)OC5=CC6=CC=CC=C6C=C5)O)C7=C(C=C(CC(CC1)O)C=C7)C(=O)C8CCCCC8)C > CC1=CCCC2(C(CCC2(CN(CC3CCC4CC3C4(C)C)C(=O)OC5=CC6=CC=CC=C6C=C5)O)C7=C(C=C(CC(CC1)O)C=C7)C(=O)C8CCCCC8)C > 87.1 > 759.486274 > 0 > 56 > 0 > 7 > 0 > 1 > 0 > 1 > 2 > 1 5 255 > 17 1 3 11 16 3 18 24 3 20 22 3 26 28 8 26 29 8 28 31 8 29 33 8 30 37 1 31 34 8 33 34 8 36 47 8 36 48 8 47 50 8 48 51 8 42 5 3 50 52 8 50 53 8 51 52 8 52 54 8 53 55 8 54 56 8 55 56 8 7 10 3 9 12 3 $$$$