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0 0 0 0 0 0 0 0 0 0 0 4.7348 9.3008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2401 6.7344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4067 7.7972 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 18.9121 5.2308 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.9001 1.0406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3948 3.6070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4773 9.0057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9720 11.5721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2886 8.4210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7833 10.9875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5052 8.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9999 11.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3013 9.8262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7959 12.3926 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6673 10.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 12.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0056 9.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5003 12.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8669 9.7974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3722 7.2310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4900 10.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9847 12.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3613 10.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8667 8.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2132 10.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 12.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6627 8.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1681 6.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3139 11.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8086 13.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7387 8.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2440 5.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6066 7.8041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1119 5.2377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5087 8.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0140 5.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8960 4.1893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3907 6.7557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1200 4.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6146 6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9973 14.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5027 11.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7206 14.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2259 11.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0300 3.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5246 6.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2567 6.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7620 3.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0300 2.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5246 5.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7620 2.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2567 5.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3907 4.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8960 2.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6033 12.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 15.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3266 12.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8213 15.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2785 8.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7838 5.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5153 13.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0100 15.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9121 1.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4067 3.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3800 1.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8746 4.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6146 4.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1200 2.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0140 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5087 3.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1119 1.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6066 3.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8185 17.1609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6846 17.6609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9525 17.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5506 17.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7974 10.7403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3027 8.1738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9394 8.5443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6979 8.2085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4341 11.1107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1926 10.7749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8043 9.4637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2989 12.0302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9741 10.9378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1638 10.7609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4688 13.5043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6584 13.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5888 10.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5053 9.2910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0835 12.6827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3655 9.6355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8316 10.2821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8602 12.2019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3262 12.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3142 7.3939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8089 9.9604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5611 6.3786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0558 8.9451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5362 8.2116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2697 8.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0415 5.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7750 6.1255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2706 9.6128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7759 7.0464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5768 4.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0715 7.4910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9097 8.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1114 8.8009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4150 6.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6167 6.2345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 7.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6354 4.6086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5867 3.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0813 6.4463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4319 14.1281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9372 11.5617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2236 13.8456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7289 11.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3726 3.5816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9741 4.2719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8673 6.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4688 6.8383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1004 13.1735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 15.7399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8920 12.8909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3867 15.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0876 5.1802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3243 6.0245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4800 6.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5823 7.7467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8190 8.5909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9747 8.8276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5777 13.8381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0724 16.4045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9978 1.9626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4925 4.5291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5867 2.4986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0813 5.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6808 3.0569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1861 0.4905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5111 2.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0164 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5738 0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0685 3.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1476 17.9709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3555 16.8509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2816 15.8509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2215 18.9709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9536 17.3509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5496 17.4709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 39 1 0 0 0 0 2 29 1 0 0 0 0 2 40 1 0 0 0 0 30 3 1 6 0 0 0 3118 1 0 0 0 0 29 4 1 6 0 0 0 4117 1 0 0 0 0 5 41 2 0 0 0 0 6 42 2 0 0 0 0 7 44 2 0 0 0 0 8 43 2 0 0 0 0 9 52 2 0 0 0 0 10 51 2 0 0 0 0 94 11 1 1 0 0 0 11170 1 0 0 0 0 93 12 1 1 0 0 0 12169 1 0 0 0 0 13 96 1 0 0 0 0 13171 1 0 0 0 0 14 95 1 0 0 0 0 14172 1 0 0 0 0 15 96 2 0 0 0 0 16 95 2 0 0 0 0 17 27 1 0 0 0 0 17 35 1 0 0 0 0 17 41 1 0 0 0 0 18 28 1 0 0 0 0 18 36 1 0 0 0 0 18 42 1 0 0 0 0 19 30 1 0 0 0 0 19 34 1 0 0 0 0 19 43 1 0 0 0 0 20 29 1 0 0 0 0 20 33 1 0 0 0 0 20 44 1 0 0 0 0 39 21 1 6 0 0 0 21 51 1 0 0 0 0 21125 1 0 0 0 0 40 22 1 6 0 0 0 22 52 1 0 0 0 0 22126 1 0 0 0 0 23 55 1 0 0 0 0 23 58 1 0 0 0 0 23 79 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 24 80 1 0 0 0 0 25 83 1 0 0 0 0 25 85 1 0 0 0 0 25162 1 0 0 0 0 26 84 1 0 0 0 0 26 86 1 0 0 0 0 26161 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 0 0 0 0 27 98 1 1 0 0 0 28 30 1 0 0 0 0 28 32 1 0 0 0 0 28 97 1 1 0 0 0 31 37 1 0 0 0 0 31 99 1 0 0 0 0 31100 1 0 0 0 0 32 38 1 0 0 0 0 32101 1 0 0 0 0 32102 1 0 0 0 0 33 41 1 0 0 0 0 33 45 1 6 0 0 0 33103 1 0 0 0 0 34 42 1 0 0 0 0 34 46 1 6 0 0 0 34104 1 0 0 0 0 35 37 1 0 0 0 0 35105 1 0 0 0 0 35106 1 0 0 0 0 36 38 1 0 0 0 0 36107 1 0 0 0 0 36108 1 0 0 0 0 37109 1 0 0 0 0 37110 1 0 0 0 0 38111 1 0 0 0 0 38112 1 0 0 0 0 39 43 1 0 0 0 0 39 47 1 0 0 0 0 40 44 1 0 0 0 0 40 48 1 0 0 0 0 45 49 1 0 0 0 0 45113 1 0 0 0 0 45114 1 0 0 0 0 46 50 1 0 0 0 0 46115 1 0 0 0 0 46116 1 0 0 0 0 47120 1 0 0 0 0 47121 1 0 0 0 0 47122 1 0 0 0 0 48119 1 0 0 0 0 48123 1 0 0 0 0 48124 1 0 0 0 0 49 62 2 0 0 0 0 49 64 1 0 0 0 0 50 61 2 0 0 0 0 50 63 1 0 0 0 0 53 51 1 1 0 0 0 54 52 1 1 0 0 0 53 55 1 0 0 0 0 53 60 1 0 0 0 0 53128 1 0 0 0 0 54 56 1 0 0 0 0 54 59 1 0 0 0 0 54127 1 0 0 0 0 55129 1 0 0 0 0 55130 1 0 0 0 0 56131 1 0 0 0 0 56132 1 0 0 0 0 57 65 1 0 0 0 0 57 68 1 0 0 0 0 57134 1 1 0 0 0 58 66 1 0 0 0 0 58 67 1 0 0 0 0 58133 1 1 0 0 0 59 65 2 0 0 0 0 59135 1 0 0 0 0 60 66 2 0 0 0 0 60136 1 0 0 0 0 61 76 1 0 0 0 0 61137 1 0 0 0 0 62 75 1 0 0 0 0 62138 1 0 0 0 0 63 78 2 0 0 0 0 63139 1 0 0 0 0 64 77 2 0 0 0 0 64140 1 0 0 0 0 65 69 1 0 0 0 0 66 70 1 0 0 0 0 67 72 1 0 0 0 0 67143 1 0 0 0 0 67144 1 0 0 0 0 68 71 1 0 0 0 0 68141 1 0 0 0 0 68142 1 0 0 0 0 69 74 2 0 0 0 0 69 88 1 0 0 0 0 70 73 2 0 0 0 0 70 87 1 0 0 0 0 71 74 1 0 0 0 0 71 85 2 0 0 0 0 72 73 1 0 0 0 0 72 86 2 0 0 0 0 73 84 1 0 0 0 0 74 83 1 0 0 0 0 75 81 2 0 0 0 0 75145 1 0 0 0 0 76 82 2 0 0 0 0 76146 1 0 0 0 0 77 81 1 0 0 0 0 77147 1 0 0 0 0 78 82 1 0 0 0 0 78148 1 0 0 0 0 79152 1 0 0 0 0 79153 1 0 0 0 0 79154 1 0 0 0 0 80149 1 0 0 0 0 80150 1 0 0 0 0 80151 1 0 0 0 0 81155 1 0 0 0 0 82156 1 0 0 0 0 83 89 2 0 0 0 0 84 90 2 0 0 0 0 85157 1 0 0 0 0 86158 1 0 0 0 0 87 92 2 0 0 0 0 87160 1 0 0 0 0 88 91 2 0 0 0 0 88159 1 0 0 0 0 89 91 1 0 0 0 0 89164 1 0 0 0 0 90 92 1 0 0 0 0 90163 1 0 0 0 0 91165 1 0 0 0 0 92166 1 0 0 0 0 93 94 1 0 0 0 0 93 95 1 0 0 0 0 93168 1 0 0 0 0 94 96 1 0 0 0 0 94167 1 0 0 0 0 M END > 9787 > 1 > 1350 > 18 > 10 > 11 > AAADcfB//gAAAAAAAAAAAAAAAAAAAWLFixY8eMGDAAAAAFjB/gAAHgAQCAAADTzhngY+yPPJlgCoAzX3XAKCgCAxAiAI2aH4ZJkbcP7A0bWfYAhltgDdyAfbmMKOgAAAQAASAAAQAASAACQAAAAAAAAAAA== > InChI=1S/2C33H35N5O5.C4H6O6/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;5-1(3(7)8)2(6)4(9)10/h2*3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);1-2,5-6H,(H,7,8)(H,9,10)/t2*21-,25-,26+,27+,32-,33+;1-,2-/m111/s1 > CJMJLDQKTOJACI-BGQAIRJTSA-N > 1312.544076 > C70H76N10O16 > 1313.40984 > CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C.CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C.C(C(C(=O)O)O)(C(=O)O)O > C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C.C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O > 352 > 1312.544076 > 0 > 96 > 14 > 0 > 0 > 0 > 0 > 3 > 36 > 1 5 255 > 94 11 5 93 12 5 39 21 6 40 22 6 25 83 8 25 85 8 26 84 8 26 86 8 27 98 5 28 97 5 30 3 6 33 45 6 34 46 6 29 4 6 49 62 8 49 64 8 50 61 8 50 63 8 53 51 5 54 52 5 57 134 5 58 133 5 61 76 8 62 75 8 63 78 8 64 77 8 69 74 8 69 88 8 70 73 8 70 87 8 71 74 8 71 85 8 72 73 8 72 86 8 73 84 8 74 83 8 75 81 8 76 82 8 77 81 8 78 82 8 83 89 8 84 90 8 87 92 8 88 91 8 89 91 8 90 92 8 $$$$