56668066 -OEChem-05052419422D 188194 0 1 0 0 0 0 0999 V2000 12.7709 5.2291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6463 -4.7540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4550 4.2826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6686 -2.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9327 1.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0938 -0.3585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6303 1.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8207 -3.1781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7593 4.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8313 3.1648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 -1.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5446 0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0594 0.3825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6679 -3.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1981 -3.1862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1850 5.2455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9534 -3.5211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5382 3.0813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1626 -3.0501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3927 3.7874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1734 -0.8845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3304 3.2921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6781 1.0532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2765 0.3825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1760 -1.1074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6679 -1.1621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1981 -1.1379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1539 4.9978 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7058 -2.5522 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6834 5.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7135 -2.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1241 6.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0483 6.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1121 -4.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3474 -3.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8229 3.7802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8926 -4.0130 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4861 4.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9163 -3.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8236 3.7430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4047 -4.8720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4238 4.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 -1.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2918 4.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9169 -5.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3561 2.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4047 -4.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0916 4.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2105 -0.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5497 2.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0343 -2.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2650 1.3824 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3043 -1.5973 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7593 5.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4290 -6.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6315 2.5768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6410 0.7832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3616 3.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9257 0.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9639 2.0977 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3414 -1.3273 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.0249 1.6575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2589 1.5695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0604 4.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9629 0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6316 2.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1309 -0.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0178 1.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8869 2.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6939 3.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6262 -2.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4253 0.8571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2487 1.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2993 3.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4305 2.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4164 -0.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0478 -0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4111 0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5048 3.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4279 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9080 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5340 -1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8019 -1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3340 -1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5340 -2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8019 -2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0019 -1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4279 -3.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9080 -3.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3340 -2.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0019 -2.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4164 -4.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -4.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7674 4.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4895 -1.9711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1705 5.4555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1161 6.2832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8164 -1.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1163 -2.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9576 6.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5127 6.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5642 6.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7606 7.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 -4.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4957 -4.5377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7982 -3.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0036 -3.9314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5169 2.9872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7352 -3.9010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1534 3.2180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7072 -4.3307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8024 4.9705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8320 4.1740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4364 -5.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4476 -6.1501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1082 3.3251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6751 -2.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8081 3.1489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0663 2.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9042 2.5692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4134 -5.4779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0246 -4.8493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3960 -4.2380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3471 5.0675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5796 4.8523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5923 -0.6614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1493 -1.2315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6949 1.1386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2305 -0.9817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3074 5.1840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0492 6.0220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2112 5.7637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8965 -6.9214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7465 -7.1364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9616 -6.2864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4671 2.4207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3771 1.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2080 2.9390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9622 3.3862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5151 4.1404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5264 0.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7722 0.6850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -0.0692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3972 2.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7444 -1.1599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4093 1.7313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4895 0.9940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8170 0.0787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6427 -0.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6215 1.6796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9836 2.1575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4733 2.9596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3602 2.1707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2909 3.2279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5265 3.6575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0969 2.8932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1929 -1.5827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1827 -2.4595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0595 -2.4696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9291 1.2288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0536 0.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9215 0.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1607 0.8138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 1.3395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3368 2.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1457 2.4438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9000 2.8909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4528 3.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0312 2.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2769 2.6227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8298 1.8685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8411 0.3751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6550 0.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9811 0.8629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9923 2.9009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8879 3.7715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0173 3.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4662 -1.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4662 -2.9949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7362 -1.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1957 -0.5179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7964 -4.1895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4092 -4.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0363 -4.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2996 -4.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9267 -4.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5395 -4.1895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 2 0 0 0 0 2 40 2 0 0 0 0 3 43 2 0 0 0 0 4 44 2 0 0 0 0 5 61 1 0 0 0 0 5 67 1 0 0 0 0 6 62 1 0 0 0 0 6 68 1 0 0 0 0 7 51 2 0 0 0 0 8 52 2 0 0 0 0 9 65 2 0 0 0 0 10 66 2 0 0 0 0 11 67 2 0 0 0 0 12 68 2 0 0 0 0 13 77 2 0 0 0 0 14 78 2 0 0 0 0 15 86 1 0 0 0 0 15 87 1 0 0 0 0 16 91 2 0 0 0 0 17 29 1 0 0 0 0 17 33 1 0 0 0 0 17 39 1 0 0 0 0 18 30 1 0 0 0 0 18 35 1 0 0 0 0 18 40 1 0 0 0 0 19 37 1 0 0 0 0 19 51 1 0 0 0 0 19117 1 0 0 0 0 20 38 1 0 0 0 0 20 52 1 0 0 0 0 20118 1 0 0 0 0 21 43 1 0 0 0 0 21 49 1 0 0 0 0 21 59 1 0 0 0 0 22 44 1 0 0 0 0 22 50 1 0 0 0 0 22 60 1 0 0 0 0 23 57 1 0 0 0 0 23 65 1 0 0 0 0 23 75 1 0 0 0 0 24 58 1 0 0 0 0 24 66 1 0 0 0 0 24 76 1 0 0 0 0 25 53 1 0 0 0 0 25 77 1 0 0 0 0 25149 1 0 0 0 0 26 54 1 0 0 0 0 26 78 1 0 0 0 0 26150 1 0 0 0 0 27 83 2 0 0 0 0 27 84 1 0 0 0 0 28 85 1 0 0 0 0 28181 1 0 0 0 0 28182 1 0 0 0 0 29 31 1 0 0 0 0 29 43 1 0 0 0 0 29 95 1 0 0 0 0 30 32 1 0 0 0 0 30 44 1 0 0 0 0 30 96 1 0 0 0 0 31 34 1 0 0 0 0 31 97 1 0 0 0 0 31 98 1 0 0 0 0 32 36 1 0 0 0 0 32 99 1 0 0 0 0 32100 1 0 0 0 0 33 34 1 0 0 0 0 33101 1 0 0 0 0 33102 1 0 0 0 0 34103 1 0 0 0 0 34104 1 0 0 0 0 35 36 1 0 0 0 0 35105 1 0 0 0 0 35106 1 0 0 0 0 36107 1 0 0 0 0 36108 1 0 0 0 0 37 39 1 0 0 0 0 37 41 1 0 0 0 0 37109 1 1 0 0 0 38 40 1 0 0 0 0 38 42 1 0 0 0 0 38110 1 6 0 0 0 41 45 1 0 0 0 0 41 47 1 6 0 0 0 41111 1 0 0 0 0 42 46 1 0 0 0 0 42 48 1 1 0 0 0 42112 1 0 0 0 0 45 55 1 0 0 0 0 45113 1 0 0 0 0 45114 1 0 0 0 0 46 56 1 0 0 0 0 46115 1 0 0 0 0 46116 1 0 0 0 0 47119 1 0 0 0 0 47120 1 0 0 0 0 47121 1 0 0 0 0 48122 1 0 0 0 0 48123 1 0 0 0 0 48124 1 0 0 0 0 49 65 1 0 0 0 0 49125 1 0 0 0 0 49126 1 0 0 0 0 50 66 1 0 0 0 0 50127 1 0 0 0 0 50128 1 0 0 0 0 51 53 1 0 0 0 0 52 54 1 0 0 0 0 53 61 1 0 0 0 0 53129 1 0 0 0 0 54 62 1 0 0 0 0 54130 1 0 0 0 0 55131 1 0 0 0 0 55132 1 0 0 0 0 55133 1 0 0 0 0 56134 1 0 0 0 0 56135 1 0 0 0 0 56136 1 0 0 0 0 57 63 1 0 0 0 0 57 67 1 0 0 0 0 57137 1 1 0 0 0 58 64 1 0 0 0 0 58 68 1 0 0 0 0 58138 1 6 0 0 0 59139 1 0 0 0 0 59140 1 0 0 0 0 59141 1 0 0 0 0 60142 1 0 0 0 0 60143 1 0 0 0 0 60144 1 0 0 0 0 61 71 1 0 0 0 0 61145 1 0 0 0 0 62 72 1 0 0 0 0 62146 1 0 0 0 0 63 69 1 0 0 0 0 63 73 1 6 0 0 0 63147 1 0 0 0 0 64 70 1 0 0 0 0 64 74 1 6 0 0 0 64148 1 0 0 0 0 69 79 1 0 0 0 0 69151 1 0 0 0 0 69152 1 0 0 0 0 70 80 1 0 0 0 0 70153 1 0 0 0 0 70154 1 0 0 0 0 71155 1 0 0 0 0 71156 1 0 0 0 0 71157 1 0 0 0 0 72158 1 0 0 0 0 72159 1 0 0 0 0 72160 1 0 0 0 0 73161 1 0 0 0 0 73162 1 0 0 0 0 73163 1 0 0 0 0 74164 1 0 0 0 0 74165 1 0 0 0 0 74166 1 0 0 0 0 75167 1 0 0 0 0 75168 1 0 0 0 0 75169 1 0 0 0 0 76170 1 0 0 0 0 76171 1 0 0 0 0 76172 1 0 0 0 0 77 81 1 0 0 0 0 78 82 1 0 0 0 0 79173 1 0 0 0 0 79174 1 0 0 0 0 79175 1 0 0 0 0 80176 1 0 0 0 0 80177 1 0 0 0 0 80178 1 0 0 0 0 81 83 1 0 0 0 0 81 85 2 0 0 0 0 82 84 2 0 0 0 0 82 88 1 0 0 0 0 83 86 1 0 0 0 0 84 87 1 0 0 0 0 85 91 1 0 0 0 0 86 89 2 0 0 0 0 87 90 2 0 0 0 0 88 92 2 0 0 0 0 88179 1 0 0 0 0 89 91 1 0 0 0 0 89 93 1 0 0 0 0 90 92 1 0 0 0 0 90 94 1 0 0 0 0 92180 1 0 0 0 0 93183 1 0 0 0 0 93184 1 0 0 0 0 93185 1 0 0 0 0 94186 1 0 0 0 0 94187 1 0 0 0 0 94188 1 0 0 0 0 M END > 56668066 > 1 > 3110 > 18 > 5 > 12 > AAADcfB//gAAAAAAAAAAAAAAAAAAAWLAAAAwQIAAAAAAAACBAAAAHgAQAAAADTzhmAYyzoPABACoA6XyXASCCAAkIAAIiIGtTNgOZj6E9buXOajm9hGY6ce6yTCOQAABQAAKEACAAAKAABQgAAAAAAAAAA== > 2-amino-4,6-dimethyl-3-oxo-N9-[(3S,10S)-7,11,14-trimethyl-3,10-bis[(1S)-1-methylpropyl]-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-N1-[(3R,10R)-7,11,14-trimethyl-3-[(1R)-1-methylpropyl]-10-[(1S)-1-methylpropyl]-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide > 2-amino-N9-[(3S,10S)-3,10-bis[(2S)-butan-2-yl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-N1-[(3R,10R)-3-[(2R)-butan-2-yl]-10-[(2S)-butan-2-yl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide > 2-amino-9-N-[(3S,10S)-3,10-bis[(2S)-butan-2-yl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-1-N-[(3R,10R)-3-[(2R)-butan-2-yl]-10-[(2S)-butan-2-yl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide > 2-amino-9-N-[(3S,10S)-3,10-bis[(2S)-butan-2-yl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-1-N-[(3R,10R)-3-[(2R)-butan-2-yl]-10-[(2S)-butan-2-yl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide > 2-azanyl-N9-[(3S,10S)-3,10-bis[(2S)-butan-2-yl]-7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-N1-[(3R,10R)-3-[(2R)-butan-2-yl]-10-[(2S)-butan-2-yl]-7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxidanylidene-phenoxazine-1,9-dicarboxamide > 2-amino-3-keto-4,6-dimethyl-N'-[(3S,10S)-2,5,9,12,15-pentaketo-7,11,14-trimethyl-3,10-bis[(1S)-1-methylpropyl]-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-N-[(3R,10R)-2,5,9,12,15-pentaketo-7,11,14-trimethyl-3-[(1R)-1-methylpropyl]-10-[(1S)-1-methylpropyl]-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide > InChI=1S/C66H94N12O16/c1-17-31(5)46-63(88)77-27-21-23-40(77)61(86)73(13)29-42(79)75(15)52(33(7)19-3)65(90)92-37(11)48(59(84)69-46)71-57(82)39-26-25-35(9)55-50(39)68-51-44(45(67)54(81)36(10)56(51)94-55)58(83)72-49-38(12)93-66(91)53(34(8)20-4)76(16)43(80)30-74(14)62(87)41-24-22-28-78(41)64(89)47(32(6)18-2)70-60(49)85/h25-26,31-34,37-38,40-41,46-49,52-53H,17-24,27-30,67H2,1-16H3,(H,69,84)(H,70,85)(H,71,82)(H,72,83)/t31-,32+,33-,34-,37?,38?,40?,41?,46-,47+,48?,49?,52-,53+/m0/s1 > ICMBEGIECJGHSL-AIRHCGHPSA-N > 5.2 > 1310.69107496 > C66H94N12O16 > 1311.5 > CCC(C)C1C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)CC)C)C)C(C)CC)C)N)C)C)C(C)CC)C)C > CC[C@H](C)[C@H]1C(=O)N2CCCC2C(=O)N(CC(=O)N([C@H](C(=O)OC(C(C(=O)N1)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)[C@H](N(C(=O)CN(C(=O)C7CCCN7C(=O)[C@H](NC6=O)[C@H](C)CC)C)C)[C@@H](C)CC)C)N)C)C)[C@@H](C)CC)C)C > 356 > 1310.69107496 > 0 > 94 > 8 > 6 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 86 8 15 87 8 53 25 3 54 26 3 27 83 8 27 84 8 29 31 3 30 32 3 37 109 5 38 110 6 41 47 6 42 48 5 57 137 5 58 138 6 61 71 3 62 72 3 63 73 6 64 74 6 81 83 8 81 85 8 82 84 8 82 88 8 84 87 8 85 91 8 86 89 8 87 90 8 88 92 8 89 91 8 90 92 8 $$$$