71537335 -OEChem-05142410432D 183185 0 1 0 0 0 0 0999 V2000 2.8660 -0.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5263 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9949 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7987 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9949 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5308 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2628 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2583 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3923 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2006 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4686 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7942 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0622 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9949 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5308 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3301 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7987 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2238 1.4181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6603 -6.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 6.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -6.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5263 -8.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 -8.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4590 8.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 8.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -8.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -8.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6603 -3.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9282 -3.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8609 3.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9282 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8609 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6603 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5263 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6647 3.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7269 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6647 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9949 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1962 -3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4641 -3.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5263 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7987 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1288 3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0622 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3968 3.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6957 0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7987 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5308 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1962 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2628 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7172 0.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8909 2.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1288 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9327 3.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3968 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3923 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3635 0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9327 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4065 -0.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0528 -0.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0743 -1.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6603 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2006 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3346 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2006 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3346 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1233 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9282 -3.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3978 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3176 -4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7161 -5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6488 5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2503 4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4482 -1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0497 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3312 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2639 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4048 -5.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0063 -4.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2017 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5991 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9390 4.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3375 5.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8768 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2753 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6592 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -3.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9248 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1277 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1288 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8535 -4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2520 -5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5318 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9337 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0677 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8671 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1836 -6.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5822 -6.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5149 6.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1163 6.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9407 -5.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5422 -4.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9841 -1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5856 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7631 2.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7998 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5183 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9168 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4696 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3356 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6075 1.4850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1847 5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7862 4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9702 0.1448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5433 4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1448 5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5422 -6.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9407 -6.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 -0.5233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4669 -1.3950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8817 -1.7291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9949 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7953 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2006 4.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6036 6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7977 4.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2006 7.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6637 3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5263 -8.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0632 -7.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 -8.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2573 -7.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4590 8.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9959 7.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 8.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1900 7.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -8.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -7.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -8.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 -7.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4686 7.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 86 1 0 0 0 0 1 95 1 0 0 0 0 2 45 2 0 0 0 0 3 46 2 0 0 0 0 4 51 2 0 0 0 0 5 57 2 0 0 0 0 6 67 1 0 0 0 0 6155 1 0 0 0 0 7 61 2 0 0 0 0 8 64 2 0 0 0 0 9 71 1 0 0 0 0 9158 1 0 0 0 0 10 66 2 0 0 0 0 11 68 2 0 0 0 0 12 73 1 0 0 0 0 12161 1 0 0 0 0 13 76 1 0 0 0 0 13162 1 0 0 0 0 14 75 2 0 0 0 0 15 76 2 0 0 0 0 16 85 1 0 0 0 0 16167 1 0 0 0 0 17 85 2 0 0 0 0 18 94 1 0 0 0 0 18183 1 0 0 0 0 39 19 1 1 0 0 0 19 45 1 0 0 0 0 19105 1 0 0 0 0 41 20 1 6 0 0 0 20 46 1 0 0 0 0 20106 1 0 0 0 0 40 21 1 6 0 0 0 21 57 1 0 0 0 0 21110 1 0 0 0 0 22 51 1 0 0 0 0 56 22 1 1 0 0 0 22122 1 0 0 0 0 48 23 1 1 0 0 0 23 66 1 0 0 0 0 23124 1 0 0 0 0 52 24 1 1 0 0 0 24 61 1 0 0 0 0 24125 1 0 0 0 0 53 25 1 6 0 0 0 25 75 1 0 0 0 0 25135 1 0 0 0 0 59 26 1 6 0 0 0 26 68 1 0 0 0 0 26136 1 0 0 0 0 27 64 1 0 0 0 0 72 27 1 6 0 0 0 27140 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 28141 1 0 0 0 0 29 62 1 0 0 0 0 29 87 2 0 0 0 0 30 63 1 0 0 0 0 30 88 2 0 0 0 0 74 31 1 1 0 0 0 31159 1 0 0 0 0 31160 1 0 0 0 0 32 79 1 0 0 0 0 32 93 2 0 0 0 0 33 87 1 0 0 0 0 33168 1 0 0 0 0 33169 1 0 0 0 0 34 87 1 0 0 0 0 34170 1 0 0 0 0 34171 1 0 0 0 0 35 88 1 0 0 0 0 35172 1 0 0 0 0 35173 1 0 0 0 0 36 88 1 0 0 0 0 36174 1 0 0 0 0 36175 1 0 0 0 0 37 93 1 0 0 0 0 37179 1 0 0 0 0 37180 1 0 0 0 0 38 93 1 0 0 0 0 38181 1 0 0 0 0 38182 1 0 0 0 0 39 44 1 0 0 0 0 39 46 1 0 0 0 0 39 96 1 0 0 0 0 40 42 1 0 0 0 0 40 45 1 0 0 0 0 40 97 1 0 0 0 0 41 43 1 0 0 0 0 41 51 1 0 0 0 0 41 98 1 0 0 0 0 42 47 1 0 0 0 0 42 99 1 0 0 0 0 42100 1 0 0 0 0 43 49 1 0 0 0 0 43101 1 0 0 0 0 43102 1 0 0 0 0 44 54 1 0 0 0 0 44103 1 0 0 0 0 44104 1 0 0 0 0 47 62 1 0 0 0 0 47107 1 0 0 0 0 47108 1 0 0 0 0 48 50 1 0 0 0 0 48 64 1 0 0 0 0 48109 1 0 0 0 0 49 63 1 0 0 0 0 49111 1 0 0 0 0 49112 1 0 0 0 0 50 55 1 0 0 0 0 50113 1 0 0 0 0 50114 1 0 0 0 0 52 57 1 0 0 0 0 52 67 1 0 0 0 0 52115 1 0 0 0 0 53 58 1 0 0 0 0 53 61 1 0 0 0 0 53116 1 0 0 0 0 54 76 1 0 0 0 0 54117 1 0 0 0 0 54118 1 0 0 0 0 55 60 1 0 0 0 0 55 70 2 0 0 0 0 56 68 1 0 0 0 0 56 71 1 0 0 0 0 56119 1 0 0 0 0 58 65 1 0 0 0 0 58120 1 0 0 0 0 58121 1 0 0 0 0 59 66 1 0 0 0 0 59 73 1 0 0 0 0 59123 1 0 0 0 0 60 69 1 0 0 0 0 60 77 2 0 0 0 0 62126 1 0 0 0 0 62127 1 0 0 0 0 63128 1 0 0 0 0 63129 1 0 0 0 0 65 79 1 0 0 0 0 65130 1 0 0 0 0 65131 1 0 0 0 0 67132 1 0 0 0 0 67133 1 0 0 0 0 69 80 2 0 0 0 0 70134 1 0 0 0 0 71137 1 0 0 0 0 71138 1 0 0 0 0 72 78 1 0 0 0 0 72 85 1 0 0 0 0 72139 1 0 0 0 0 73142 1 0 0 0 0 73143 1 0 0 0 0 74 75 1 0 0 0 0 74 81 1 0 0 0 0 74144 1 0 0 0 0 77 82 1 0 0 0 0 77145 1 0 0 0 0 78 84 1 0 0 0 0 78146 1 0 0 0 0 78147 1 0 0 0 0 79148 1 0 0 0 0 79149 1 0 0 0 0 80 83 1 0 0 0 0 80150 1 0 0 0 0 81 86 1 0 0 0 0 81151 1 0 0 0 0 81152 1 0 0 0 0 82 83 2 0 0 0 0 82153 1 0 0 0 0 83154 1 0 0 0 0 84 89 2 0 0 0 0 84 90 1 0 0 0 0 86156 1 0 0 0 0 86157 1 0 0 0 0 89 91 1 0 0 0 0 89163 1 0 0 0 0 90 92 2 0 0 0 0 90164 1 0 0 0 0 91 94 2 0 0 0 0 91165 1 0 0 0 0 92 94 1 0 0 0 0 92166 1 0 0 0 0 95176 1 0 0 0 0 95177 1 0 0 0 0 95178 1 0 0 0 0 M END > 71537335 > 1 > 2630 > 22 > 23 > 44 > AAADcfB//gBAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgQQCAAADCzl3ga/zvLJkgioAzX3fACCgCExIjAI2aG+bJgKdvbikbOUcAhm9hHY2Ae83+KOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-5-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-5-oxo-pentanoic acid > (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid > (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid > (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid > (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid > (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-5-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-4-guanidino-butyl]amino]-5-keto-valeric acid > InChI=1S/C57H88N20O17S/c1-95-22-18-33(58)45(84)69-35(9-4-19-65-55(59)60)47(86)75-41(26-78)51(90)71-36(10-5-20-66-56(61)62)46(85)72-38(16-17-44(82)83)49(88)70-37(11-6-21-67-57(63)64)48(87)76-43(28-80)53(92)77-42(27-79)52(91)73-39(24-30-25-68-34-8-3-2-7-32(30)34)50(89)74-40(54(93)94)23-29-12-14-31(81)15-13-29/h2-3,7-8,12-15,25,33,35-43,68,78-81H,4-6,9-11,16-24,26-28,58H2,1H3,(H,69,84)(H,70,88)(H,71,90)(H,72,85)(H,73,91)(H,74,89)(H,75,86)(H,76,87)(H,77,92)(H,82,83)(H,93,94)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t33-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1 > YAOSGHMKGQIZME-MJNVZNKNSA-N > -9.8 > 1356.63570259 > C57H88N20O17S > 1357.5 > CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)N > CSCC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)N > 678 > 1356.63570259 > 0 > 95 > 10 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 39 19 5 41 20 6 40 21 6 56 22 5 48 23 5 52 24 5 53 25 6 59 26 6 72 27 6 28 69 8 28 70 8 74 31 5 55 60 8 55 70 8 60 69 8 60 77 8 69 80 8 77 82 8 80 83 8 82 83 8 84 89 8 84 90 8 89 91 8 90 92 8 91 94 8 92 94 8 $$$$