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0 0 0 0 0 0 0 9.7580 -1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3300 -2.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6128 1.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0051 0.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1252 -1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5934 -1.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2661 0.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6625 -2.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9407 -3.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9699 -0.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1614 1.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8905 -0.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3095 -4.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0599 0.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4499 -0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0291 -0.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7575 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1224 -0.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1734 1.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8589 1.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0796 -2.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6123 -1.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1729 -0.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5236 -3.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2279 -2.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9859 0.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0321 2.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7840 -2.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7666 -1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0432 1.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1739 -3.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0965 1.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9424 0.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0252 0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1614 1.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5114 -2.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8451 2.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6586 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5934 0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0616 2.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4919 -0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8275 1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1382 2.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7043 -1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6496 -1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2132 1.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1021 2.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8042 1.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5260 -0.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1912 3.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1853 0.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2926 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6970 4.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8232 2.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4308 4.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5407 4.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5501 1.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5605 -4.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4869 3.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7739 -2.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 0.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3963 -4.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5675 3.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9848 -1.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 3.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4057 -0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8110 4.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1094 -0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6915 3.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0936 0.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8171 4.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7855 0.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9272 4.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0791 1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9194 2.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7081 2.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5665 2.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9426 1.8374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9571 -4.2913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3153 -5.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0207 3.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2110 2.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2424 -2.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0456 -1.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5514 0.8712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9008 0.0669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7050 0.4163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0559 -5.5012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9145 -5.3233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7367 -4.4647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 4.3607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 4.9830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7261 -0.4324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7072 5.1452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3117 0.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7826 3.4693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 2.4320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5124 2.3374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5381 1.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1545 3.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3286 2.3346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 55 1 0 0 0 0 1 77 1 0 0 0 0 2 56 1 0 0 0 0 2 78 1 0 0 0 0 3 57 1 0 0 0 0 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0 0 82109 1 0 0 0 0 82110 1 0 0 0 0 82111 1 0 0 0 0 83 85 2 0 0 0 0 83 87 1 0 0 0 0 84 86 2 0 0 0 0 84 88 1 0 0 0 0 85 89 1 0 0 0 0 85112 1 0 0 0 0 86 90 1 0 0 0 0 86113 1 0 0 0 0 87 91 2 0 0 0 0 87114 1 0 0 0 0 88 92 2 0 0 0 0 88115 1 0 0 0 0 89 93 2 0 0 0 0 89 95 1 0 0 0 0 90 94 2 0 0 0 0 90 96 1 0 0 0 0 91 93 1 0 0 0 0 91116 1 0 0 0 0 92 94 1 0 0 0 0 92117 1 0 0 0 0 95118 1 0 0 0 0 95119 1 0 0 0 0 96120 1 0 0 0 0 96121 1 0 0 0 0 97122 1 0 0 0 0 97123 1 0 0 0 0 M END > 16152362 > 0 > 5740 > 10 > 0 > 6 > AAADceB/PAAAAAAAAAAAAAAAGDAAAYMECBA8eMGDBggWAACxVAAAHgAAAAAADgjhmAYzyMMABACIAiTSSACCAAAhAgAIiAEIbIiIJjbI8ZmGMAht4API6CeY2POPyAACAAASAACQAAQAACQAAQAACAAAAA== > 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CCOC(=O)[C@@]12C(=O)OCC3=CC4=C(C=C3)N5CC6=C(C=CC(=C6)COC(=O)[C@]7(C89C73C6=C7C%10=C%11C%12=C%13C%14=C%10C%10=C6C6=C3C3=C%15C%16=C%17C3=C8C3=C8C%17=C%17C%18=C8C8=C%19C(=C%12C%12=C%13C%13=C%20C%14=C%10C%10=C6C%15=C6C%10=C%20C11C%13=C%10C%12=C%19C%18=C%10C%10=C%17C%16=C6C21%10)C1=C8C3=C9C7=C1%11)C(=O)OCC)N(C4)C5 > 112 > 1226.168916 > 0 > 97 > 2 > 4 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 11 21 3 12 22 3 13 23 3 14 24 3 15 55 6 16 56 6 17 25 8 17 27 8 18 26 8 18 28 8 19 29 8 19 33 8 20 30 8 20 34 8 21 31 8 21 35 8 22 32 8 22 36 8 23 37 8 23 39 8 24 38 8 24 40 8 25 29 8 25 41 8 26 30 8 26 42 8 27 31 8 27 43 8 28 32 8 28 44 8 29 45 8 30 46 8 31 47 8 32 48 8 33 37 8 33 51 8 34 38 8 34 52 8 35 39 8 35 53 8 36 40 8 36 54 8 37 61 8 38 62 8 39 59 8 40 60 8 41 42 8 41 44 8 42 43 8 43 46 8 44 45 8 45 49 8 46 50 8 47 50 8 47 63 8 48 49 8 48 64 8 49 51 8 50 52 8 51 65 8 52 66 8 53 63 8 53 67 8 54 64 8 54 68 8 59 67 8 59 69 8 60 68 8 60 70 8 61 69 8 61 71 8 62 70 8 62 72 8 63 66 8 64 65 8 65 71 8 66 72 8 67 73 8 68 74 8 69 75 8 70 76 8 71 74 8 72 73 8 73 76 8 74 75 8 75 76 8 83 85 8 83 87 8 84 86 8 84 88 8 85 89 8 86 90 8 87 91 8 88 92 8 89 93 8 90 94 8 91 93 8 92 94 8 $$$$