71473261 -OEChem-04242416002D 184188 0 1 0 0 0 0 0999 V2000 9.8280 8.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5819 6.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8887 -3.5536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5209 4.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5565 -4.2979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1958 -0.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5998 8.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8816 0.9122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2494 -7.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9496 -1.9394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1743 -0.1640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5350 -4.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9676 0.0873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6104 1.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3854 -13.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5389 6.8666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8746 5.3780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2247 8.1490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2674 -5.4546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2423 -3.0155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3104 -7.4765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1567 11.0006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6031 -6.9432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9067 -1.5269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8996 2.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5925 -0.2445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 9.6376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2568 1.2441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9817 -8.8443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7995 12.6954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8207 -0.7020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1814 -4.6298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4458 12.1573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1852 6.3285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1637 6.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4744 7.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8710 7.6109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1817 8.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5174 7.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5138 9.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4529 7.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8066 8.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5995 -4.7103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8925 7.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6210 -4.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3104 -5.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8245 10.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2462 7.9428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3641 -6.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9102 -3.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5424 4.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5530 -2.0650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9355 6.9923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3641 -7.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9137 -5.9927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8940 -6.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2459 -5.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2317 3.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5315 -1.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4981 -5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8922 -5.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8852 -1.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 8.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 6.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2388 -0.7826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4981 -7.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6140 -0.4507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6321 -6.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9602 -8.6381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6321 -7.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2709 -7.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2603 -0.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3033 -1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4673 11.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5495 0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6281 -9.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8422 -0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 7.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 5.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2029 -4.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9461 0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5889 1.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3248 -1.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3174 -10.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 7.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 5.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0141 -2.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6569 -0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9853 -11.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3389 -10.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1102 13.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0356 -2.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6784 -1.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6746 -12.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0282 -11.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3678 -2.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6961 -12.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5786 6.2007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1843 5.9151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7776 6.4474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6670 8.0746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6784 7.0216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7286 8.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5642 9.0494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3463 6.2773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9669 9.5978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1313 8.8178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5808 7.0848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0596 7.8194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3250 8.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2680 8.6436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3925 8.6910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3451 7.8155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2679 5.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2062 -4.5825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6005 -4.2969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0072 -4.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3714 9.9642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2071 10.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4388 8.5321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4173 8.7383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0748 -6.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9671 -2.5265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9561 6.3726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5493 6.9049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3278 -6.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5140 -6.6718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6357 -3.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5030 -8.0659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6848 3.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8492 3.1953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5521 -2.4784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1453 -1.9461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 10.8727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4981 -5.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9128 -6.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5060 -5.8738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0462 -1.3719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4981 -8.2918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9964 -7.0711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7140 -2.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0280 -0.9122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0951 -5.8618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7676 -9.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0951 -7.4818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5063 3.0668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3239 -2.0209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9171 -1.4886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7851 0.3448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0964 -0.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9320 0.6558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1750 -9.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0106 -8.8945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4818 8.1197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 5.3741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4749 10.0991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 9.7655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8634 1.3719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 7.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 5.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7891 -9.4336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5677 -8.3828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1928 12.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 6.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0133 -0.1127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2347 -1.1635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3740 -4.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5955 -5.0912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4282 -3.0195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8496 -0.2739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6384 12.7466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0742 1.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5919 -10.9493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9248 -10.0776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 13.4533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3028 14.2352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5208 13.8385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8430 -3.3536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2644 -0.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0887 -12.4892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4216 -11.6175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7611 -2.1478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7995 -13.6459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 2 0 0 0 0 2 44 2 0 0 0 0 3 50 2 0 0 0 0 4 51 2 0 0 0 0 5 57 2 0 0 0 0 6 62 2 0 0 0 0 7 63 2 0 0 0 0 8 75 1 0 0 0 0 8173 1 0 0 0 0 9 71 2 0 0 0 0 10 72 2 0 0 0 0 11 77 2 0 0 0 0 12 80 2 0 0 0 0 13 81 2 0 0 0 0 14 82 2 0 0 0 0 15 98 1 0 0 0 0 15184 1 0 0 0 0 37 16 1 6 0 0 0 16 39 1 0 0 0 0 16106 1 0 0 0 0 34 17 1 6 0 0 0 17 51 1 0 0 0 0 17115 1 0 0 0 0 18 44 1 0 0 0 0 48 18 1 1 0 0 0 18122 1 0 0 0 0 43 19 1 1 0 0 0 19 57 1 0 0 0 0 19123 1 0 0 0 0 20 50 1 0 0 0 0 52 20 1 6 0 0 0 20129 1 0 0 0 0 21 54 1 0 0 0 0 21 56 1 0 0 0 0 21130 1 0 0 0 0 22 47 1 0 0 0 0 22 74 1 0 0 0 0 22135 1 0 0 0 0 55 23 1 6 0 0 0 23 71 1 0 0 0 0 23141 1 0 0 0 0 24 62 1 0 0 0 0 65 24 1 6 0 0 0 24142 1 0 0 0 0 25 58 1 0 0 0 0 25 82 1 0 0 0 0 25147 1 0 0 0 0 67 26 1 1 0 0 0 26 72 1 0 0 0 0 26150 1 0 0 0 0 27 63 1 0 0 0 0 27157 1 0 0 0 0 27158 1 0 0 0 0 28 81 1 0 0 0 0 28 82 1 0 0 0 0 28159 1 0 0 0 0 69 29 1 1 0 0 0 29162 1 0 0 0 0 29163 1 0 0 0 0 30 74 1 0 0 0 0 30 92 1 0 0 0 0 30164 1 0 0 0 0 31 77 1 0 0 0 0 31166 1 0 0 0 0 31167 1 0 0 0 0 32 80 1 0 0 0 0 32168 1 0 0 0 0 32169 1 0 0 0 0 33 74 2 0 0 0 0 33172 1 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 34 99 1 0 0 0 0 35 36 1 0 0 0 0 35100 1 0 0 0 0 35101 1 0 0 0 0 36 41 1 0 0 0 0 36 42 1 0 0 0 0 36102 1 0 0 0 0 37 38 1 0 0 0 0 37 44 1 0 0 0 0 37103 1 0 0 0 0 38 40 1 0 0 0 0 38104 1 0 0 0 0 38105 1 0 0 0 0 40 47 1 0 0 0 0 40107 1 0 0 0 0 40108 1 0 0 0 0 41109 1 0 0 0 0 41110 1 0 0 0 0 41111 1 0 0 0 0 42112 1 0 0 0 0 42113 1 0 0 0 0 42114 1 0 0 0 0 43 45 1 0 0 0 0 43 50 1 0 0 0 0 43116 1 0 0 0 0 45 46 1 0 0 0 0 45117 1 0 0 0 0 45118 1 0 0 0 0 46 49 1 0 0 0 0 46 56 2 0 0 0 0 47119 1 0 0 0 0 47120 1 0 0 0 0 48 53 1 0 0 0 0 48 63 1 0 0 0 0 48121 1 0 0 0 0 49 54 1 0 0 0 0 49 60 2 0 0 0 0 51 58 1 0 0 0 0 52 59 1 0 0 0 0 52 62 1 0 0 0 0 52124 1 0 0 0 0 53 64 1 0 0 0 0 53125 1 0 0 0 0 53126 1 0 0 0 0 54 66 2 0 0 0 0 55 57 1 0 0 0 0 55 61 1 0 0 0 0 55127 1 0 0 0 0 56128 1 0 0 0 0 58131 1 0 0 0 0 58132 1 0 0 0 0 59 77 1 0 0 0 0 59133 1 0 0 0 0 59134 1 0 0 0 0 60 68 1 0 0 0 0 60136 1 0 0 0 0 61 80 1 0 0 0 0 61137 1 0 0 0 0 61138 1 0 0 0 0 64 78 2 0 0 0 0 64 79 1 0 0 0 0 65 72 1 0 0 0 0 65 75 1 0 0 0 0 65139 1 0 0 0 0 66 70 1 0 0 0 0 66140 1 0 0 0 0 67 73 1 0 0 0 0 67 81 1 0 0 0 0 67143 1 0 0 0 0 68 70 2 0 0 0 0 68144 1 0 0 0 0 69 71 1 0 0 0 0 69 76 1 0 0 0 0 69145 1 0 0 0 0 70146 1 0 0 0 0 73 83 1 0 0 0 0 73148 1 0 0 0 0 73149 1 0 0 0 0 75151 1 0 0 0 0 75152 1 0 0 0 0 76 84 1 0 0 0 0 76153 1 0 0 0 0 76154 1 0 0 0 0 78 85 1 0 0 0 0 78155 1 0 0 0 0 79 86 2 0 0 0 0 79156 1 0 0 0 0 83 88 2 0 0 0 0 83 89 1 0 0 0 0 84 90 2 0 0 0 0 84 91 1 0 0 0 0 85 87 2 0 0 0 0 85160 1 0 0 0 0 86 87 1 0 0 0 0 86161 1 0 0 0 0 87165 1 0 0 0 0 88 93 1 0 0 0 0 88170 1 0 0 0 0 89 94 2 0 0 0 0 89171 1 0 0 0 0 90 95 1 0 0 0 0 90174 1 0 0 0 0 91 96 2 0 0 0 0 91175 1 0 0 0 0 92176 1 0 0 0 0 92177 1 0 0 0 0 92178 1 0 0 0 0 93 97 2 0 0 0 0 93179 1 0 0 0 0 94 97 1 0 0 0 0 94180 1 0 0 0 0 95 98 2 0 0 0 0 95181 1 0 0 0 0 96 98 1 0 0 0 0 96182 1 0 0 0 0 97183 1 0 0 0 0 M END > 71473261 > 1 > 2720 > 17 > 20 > 40 > AAADcfB//AAAAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAFgB9AAAHgAQCAAADSzhngY/xvLJkgCoAzV3dACCgCCxIiAJ2aG+bJiKdv7C2bOUcAhu9zPY2AedyeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (2S)-N-[(1S)-2-[[(1S)-3-amino-1-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-4-[(N-methylcarbamimidoyl)amino]butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoylamino]-1-benzyl-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanediamide > (2S)-N-[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-[[imino(methylamino)methyl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-oxomethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]butanediamide > (2S)-N-[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-[(N-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanediamide > (2S)-N-[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-[(N-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanediamide > (2S)-N-[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-[(N-methylcarbamimidoyl)amino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-[[(2R)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]butanediamide > (2S)-N-[(1S)-2-[[(1S)-3-amino-1-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-4-[(N-methylamidino)amino]butyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-ethyl]carbamoylamino]-1-benzyl-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-3-keto-propyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]succinamide > InChI=1S/C65H86N18O15/c1-35(2)25-46(58(92)76-44(19-12-24-72-64(70)71-3)57(91)77-45(55(69)89)27-36-13-6-4-7-14-36)75-54(88)33-74-65(98)83-62(96)47(28-37-15-8-5-9-16-37)79-63(97)51(34-84)82-61(95)50(31-53(68)87)81-59(93)48(29-39-32-73-43-18-11-10-17-41(39)43)80-60(94)49(30-52(67)86)78-56(90)42(66)26-38-20-22-40(85)23-21-38/h4-11,13-18,20-23,32,35,42,44-51,73,84-85H,12,19,24-31,33-34,66H2,1-3H3,(H2,67,86)(H2,68,87)(H2,69,89)(H,75,88)(H,76,92)(H,77,91)(H,78,90)(H,79,97)(H,80,94)(H,81,93)(H,82,95)(H3,70,71,72)(H2,74,83,96,98)/t42-,44+,45+,46+,47+,48+,49+,50+,51+/m1/s1 > DJAGOJTTYKOPEX-OPOFVLAOSA-N > -0.9 > 1358.65200411 > C65H86N18O15 > 1359.5 > CC(C)CC(C(=O)NC(CCCNC(=N)NC)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)CNC(=O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC(=O)N)NC(=O)C(CC5=CC=C(C=C5)O)N > CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)CNC(=O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](CC5=CC=C(C=C5)O)N > 550 > 1358.65200411 > 0 > 98 > 9 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 37 16 6 34 17 6 48 18 5 43 19 5 52 20 6 21 54 8 21 56 8 55 23 6 65 24 6 67 26 5 69 29 5 46 49 8 46 56 8 49 54 8 49 60 8 54 66 8 60 68 8 64 78 8 64 79 8 66 70 8 68 70 8 78 85 8 79 86 8 83 88 8 83 89 8 84 90 8 84 91 8 85 87 8 86 87 8 88 93 8 89 94 8 90 95 8 91 96 8 93 97 8 94 97 8 95 98 8 96 98 8 $$$$