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0 0 0 0 0 0 0 0 7.0889 -1.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2015 3.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 -0.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 1.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 1.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 -0.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4316 2.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 1.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7856 0.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0770 -1.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 2.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 4.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 1.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0775 1.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -1.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6967 4.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0856 2.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -1.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2552 -2.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 3.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6858 4.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 2.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7382 3.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7066 -1.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9244 2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -1.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6544 -0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 -2.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7114 -4.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 -3.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8098 3.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 -1.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7053 4.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 0.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 4.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 3.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5085 -5.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -2.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 -3.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5461 4.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 -0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6748 4.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 2.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6651 -3.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6546 -4.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -3.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 4.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 1.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 -1.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 -2.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -2.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0444 5.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2066 -0.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5952 0.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0062 -2.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7054 6.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7066 0.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5191 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9252 -3.1082 0.0000 C 0 0 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CCCCCCCCN1C2=C3C=C(COC(=O)[C@@]4(C56C47C8=C9C4=C%10C%11=C%12C%13=C%14C%15=C%16C%17=C%18C%19=C%20C%21=C%22C%18=C%18C%16=C%16C%15=C%15C%23=C%14C%12=C%12C%10=C%10C9=C7C7=C9C%10=C%12C%23=C%10C9=C9C7=C5C5=C(C%22=C%18C7=C%16C%12(C%15%10[C@]%12(C(=O)OCC%10=CC3=C1C=C%10)C(=O)OCC)C9=C57)C6=C%21C8=C%20C4=C%11C%19=C%17%13)C(=O)OCC)C=C2 > 110 > 1283.251917 > 0 > 101 > 2 > 4 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 20 3 11 21 3 12 22 3 13 23 3 14 46 6 15 47 6 16 24 8 16 26 8 17 25 8 17 27 8 18 28 8 18 33 8 19 29 8 19 34 8 20 30 8 20 35 8 21 31 8 21 36 8 22 37 8 22 39 8 23 38 8 23 40 8 24 25 8 24 28 8 25 29 8 26 27 8 26 30 8 27 31 8 28 32 8 29 32 8 30 41 8 31 42 8 32 43 8 33 37 8 33 44 8 34 38 8 34 45 8 35 39 8 35 50 8 36 40 8 36 51 8 37 56 8 38 57 8 39 54 8 40 55 8 41 42 8 41 52 8 42 53 8 43 44 8 43 45 8 44 58 8 45 59 8 50 52 8 50 60 8 51 53 8 51 61 8 52 62 8 53 62 8 54 60 8 54 63 8 55 61 8 55 64 8 56 63 8 56 65 8 57 64 8 57 66 8 58 59 8 58 65 8 59 66 8 60 68 8 61 69 8 62 67 8 63 72 8 64 73 8 65 70 8 66 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