57353189 -OEChem-05132416002D 200206 0 1 0 0 0 0 0999 V2000 6.0985 2.9222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6892 2.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4411 0.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2145 2.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3283 -1.8960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6929 0.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3420 1.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2602 0.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5271 4.0363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4508 -3.3893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9610 0.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9488 -4.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0586 -0.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8119 -0.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4188 -4.5177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3450 -2.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0771 -3.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9431 -5.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4545 2.1649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1876 3.9994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9345 -0.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7013 3.0949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6100 1.0678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3711 1.5877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6284 -2.1340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0859 2.4700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3266 -0.9455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5437 -0.9254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9411 -2.4800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4109 -2.4694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4790 -4.4905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6752 -4.4905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9478 1.3028 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.1878 3.9839 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9777 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8685 4.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8822 2.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6641 5.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7931 2.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4777 4.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4545 2.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7009 3.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3586 2.0357 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.0672 2.3056 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4411 0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7012 3.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9694 2.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0612 2.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9605 2.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5890 3.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4628 1.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6534 3.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9345 -0.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1880 3.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4722 0.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3865 0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4644 -0.4388 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.5283 0.0745 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4278 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2147 2.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5946 -0.9321 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6547 0.5611 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5963 -1.8827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8038 1.7739 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9268 -1.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3298 3.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0649 -0.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8021 1.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4585 -2.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8192 0.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 -0.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7699 1.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3622 -3.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1241 2.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0163 -1.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0335 0.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5288 2.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1887 -1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6855 -1.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1810 -2.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7009 -2.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0770 -2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8091 -2.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8129 -3.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0809 -3.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2769 -2.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6090 -2.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7089 -4.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6130 -3.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1890 -4.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2810 -4.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7012 -5.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2044 -5.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3450 -3.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2111 -4.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8091 -3.9905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9431 -4.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8091 -2.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6752 -2.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9431 -2.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5789 0.8045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5703 4.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3577 1.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9069 0.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5510 5.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3055 4.6656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6950 3.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2748 2.3849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0717 5.9885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2423 5.9757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2968 3.2686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4865 3.4459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0485 4.7079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7786 5.4922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9661 1.9117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2771 1.7222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2052 2.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8121 2.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1152 0.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7947 1.8161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8780 2.0801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5750 2.6121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0429 3.3091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1624 3.9882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3531 4.3258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0156 3.5165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8950 1.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7119 0.7120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0306 1.5288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1530 2.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0206 3.5009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1538 3.3685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9393 0.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3145 -0.4168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7201 4.2714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8698 4.4852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0038 -0.1330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9962 -0.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8885 -1.6050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7336 -1.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9671 -0.9932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6730 2.5229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9130 1.6796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7563 1.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0060 -1.1269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1823 0.9627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2120 -1.3962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0196 2.3551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4508 -0.9136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5560 2.4020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7873 -1.2513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0854 -1.2270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1872 0.1717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3170 0.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4247 -0.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3858 1.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8413 2.1703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1540 1.6259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7646 -2.9329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1971 -3.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9598 -3.2630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9544 2.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5277 2.0266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2938 1.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8253 -1.8972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6061 -1.4983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2073 -0.7174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4623 0.1082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7265 0.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2497 -0.1508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4304 0.7166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1770 0.2569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6367 1.0036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9547 2.0692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9794 2.9456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1030 2.9704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1435 -2.6348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0812 -5.5030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6964 -6.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3212 -5.5126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8740 -2.7794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4109 -1.8494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5845 -5.5309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2140 -6.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8243 -5.5117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4790 -5.1105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8125 -4.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6096 -4.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3461 -3.6805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2722 -3.3005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9852 -3.0274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2121 -2.1805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3652 -1.9536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2531 -1.9536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4062 -2.1805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6331 -3.0274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2121 -4.1805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6752 -5.1105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 42 2 0 0 0 0 2 43 2 0 0 0 0 3 46 2 0 0 0 0 4 47 2 0 0 0 0 5 62 1 0 0 0 0 5 70 1 0 0 0 0 6 63 1 0 0 0 0 6 71 1 0 0 0 0 7 56 2 0 0 0 0 8 57 2 0 0 0 0 9 66 2 0 0 0 0 10 67 2 0 0 0 0 11 70 2 0 0 0 0 12 71 2 0 0 0 0 13 86 1 0 0 0 0 13 87 1 0 0 0 0 14 80 2 0 0 0 0 15 81 2 0 0 0 0 16 93 2 0 0 0 0 17 96 2 0 0 0 0 18 97 1 0 0 0 0 18 99 1 0 0 0 0 19 99 2 0 0 0 0 20 34 1 0 0 0 0 20 40 1 0 0 0 0 20 42 1 0 0 0 0 21 35 1 0 0 0 0 21 41 1 0 0 0 0 21 43 1 0 0 0 0 22 46 1 0 0 0 0 22 54 1 0 0 0 0 22 60 1 0 0 0 0 23 47 1 0 0 0 0 23 55 1 0 0 0 0 23 61 1 0 0 0 0 24 44 1 0 0 0 0 24 56 1 0 0 0 0 24121 1 0 0 0 0 25 45 1 0 0 0 0 25 57 1 0 0 0 0 25122 1 0 0 0 0 26 64 1 0 0 0 0 26 66 1 0 0 0 0 26 74 1 0 0 0 0 27 65 1 0 0 0 0 27 67 1 0 0 0 0 27 75 1 0 0 0 0 28 58 1 0 0 0 0 28 80 1 0 0 0 0 28153 1 0 0 0 0 29 59 1 0 0 0 0 29 81 1 0 0 0 0 29154 1 0 0 0 0 30 84 2 0 0 0 0 30 85 1 0 0 0 0 31 88 1 0 0 0 0 31183 1 0 0 0 0 31184 1 0 0 0 0 32 91 1 0 0 0 0 32 96 1 0 0 0 0 32188 1 0 0 0 0 98 33 1 6 0 0 0 33199 1 0 0 0 0 33200 1 0 0 0 0 34 36 1 0 0 0 0 34 46 1 0 0 0 0 34103 1 0 0 0 0 35 37 1 0 0 0 0 35 47 1 0 0 0 0 35104 1 0 0 0 0 36 38 1 0 0 0 0 36105 1 0 0 0 0 36106 1 0 0 0 0 37 39 1 0 0 0 0 37107 1 0 0 0 0 37108 1 0 0 0 0 38 40 1 0 0 0 0 38109 1 0 0 0 0 38110 1 0 0 0 0 39 41 1 0 0 0 0 39111 1 0 0 0 0 39112 1 0 0 0 0 40113 1 0 0 0 0 40114 1 0 0 0 0 41115 1 0 0 0 0 41116 1 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 44 48 1 0 0 0 0 44117 1 0 0 0 0 45 49 1 0 0 0 0 45118 1 0 0 0 0 48 50 1 0 0 0 0 48 51 1 0 0 0 0 48119 1 0 0 0 0 49 52 1 0 0 0 0 49 53 1 0 0 0 0 49120 1 0 0 0 0 50123 1 0 0 0 0 50124 1 0 0 0 0 50125 1 0 0 0 0 51126 1 0 0 0 0 51127 1 0 0 0 0 51128 1 0 0 0 0 52129 1 0 0 0 0 52130 1 0 0 0 0 52131 1 0 0 0 0 53132 1 0 0 0 0 53133 1 0 0 0 0 53134 1 0 0 0 0 54 66 1 0 0 0 0 54135 1 0 0 0 0 54136 1 0 0 0 0 55 67 1 0 0 0 0 55137 1 0 0 0 0 55138 1 0 0 0 0 56 58 1 0 0 0 0 57 59 1 0 0 0 0 58 62 1 0 0 0 0 58139 1 0 0 0 0 59 63 1 0 0 0 0 59140 1 0 0 0 0 60141 1 0 0 0 0 60142 1 0 0 0 0 60143 1 0 0 0 0 61144 1 0 0 0 0 61145 1 0 0 0 0 61146 1 0 0 0 0 62 72 1 0 0 0 0 62147 1 0 0 0 0 63 73 1 0 0 0 0 63148 1 0 0 0 0 64 68 1 0 0 0 0 64 70 1 0 0 0 0 64149 1 0 0 0 0 65 69 1 0 0 0 0 65 71 1 0 0 0 0 65150 1 0 0 0 0 68 76 1 0 0 0 0 68 77 1 0 0 0 0 68151 1 0 0 0 0 69 78 1 0 0 0 0 69 79 1 0 0 0 0 69152 1 0 0 0 0 72155 1 0 0 0 0 72156 1 0 0 0 0 72157 1 0 0 0 0 73158 1 0 0 0 0 73159 1 0 0 0 0 73160 1 0 0 0 0 74161 1 0 0 0 0 74162 1 0 0 0 0 74163 1 0 0 0 0 75164 1 0 0 0 0 75165 1 0 0 0 0 75166 1 0 0 0 0 76167 1 0 0 0 0 76168 1 0 0 0 0 76169 1 0 0 0 0 77170 1 0 0 0 0 77171 1 0 0 0 0 77172 1 0 0 0 0 78173 1 0 0 0 0 78174 1 0 0 0 0 78175 1 0 0 0 0 79176 1 0 0 0 0 79177 1 0 0 0 0 79178 1 0 0 0 0 80 82 1 0 0 0 0 81 83 1 0 0 0 0 82 84 1 0 0 0 0 82 88 2 0 0 0 0 83 85 1 0 0 0 0 83 89 2 0 0 0 0 84 87 1 0 0 0 0 85 86 2 0 0 0 0 86 90 1 0 0 0 0 87 92 2 0 0 0 0 88 93 1 0 0 0 0 89 91 1 0 0 0 0 89179 1 0 0 0 0 90 91 2 0 0 0 0 90 94 1 0 0 0 0 92 93 1 0 0 0 0 92 95 1 0 0 0 0 94180 1 0 0 0 0 94181 1 0 0 0 0 94182 1 0 0 0 0 95185 1 0 0 0 0 95186 1 0 0 0 0 95187 1 0 0 0 0 96 97 1 0 0 0 0 97189 1 0 0 0 0 97190 1 0 0 0 0 98 99 1 0 0 0 0 98100 1 0 0 0 0 98191 1 0 0 0 0 100101 1 0 0 0 0 100102 1 0 0 0 0 100192 1 0 0 0 0 101193 1 0 0 0 0 101194 1 0 0 0 0 101195 1 0 0 0 0 102196 1 0 0 0 0 102197 1 0 0 0 0 102198 1 0 0 0 0 M END > 57353189 > 1 > 3460 > 22 > 7 > 14 > AAADcfB//gAAAAAAAAAAAAAAAAAAAWLAAAAwQIAAAAAAAACBAAAAHgAQAAAADTzhmAYyzoPABACoA6XyXAaCCAAlIgAAiIHtbNgOZj7E9L+XOajm9hnY6ce+2TOOQACBQgAKEACAAQKEABQgAAAAAAAAAA== > [2-[[8-amino-1,9-bis[(3,10-diisopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)carbamoyl]-4,6-dimethyl-7-oxo-phenoxazin-3-yl]amino]-2-oxo-ethyl] (2S)-2-amino-3-methyl-butanoate > (2S)-2-amino-3-methylbutanoic acid [2-[[8-amino-4,6-dimethyl-7-oxo-1,9-bis[oxo-[[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]amino]methyl]-3-phenoxazinyl]amino]-2-oxoethyl] ester > [2-[[8-amino-4,6-dimethyl-7-oxo-1,9-bis[[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]carbamoyl]phenoxazin-3-yl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanoate > [2-[[8-amino-4,6-dimethyl-7-oxo-1,9-bis[[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]carbamoyl]phenoxazin-3-yl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanoate > [2-[[8-azanyl-4,6-dimethyl-7-oxidanylidene-1,9-bis[[7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]carbamoyl]phenoxazin-3-yl]amino]-2-oxidanylidene-ethyl] (2S)-2-azanyl-3-methyl-butanoate > (2S)-2-amino-3-methyl-butyric acid [2-[[8-amino-1,9-bis[(3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)carbamoyl]-7-keto-4,6-dimethyl-phenoxazin-3-yl]amino]-2-keto-ethyl] ester > InChI=1S/C69H98N14O19/c1-29(2)46(70)67(96)99-28-42(84)72-39-25-38(59(88)76-50-36(13)100-68(97)54(32(7)8)80(17)43(85)26-78(15)63(92)40-21-19-23-82(40)65(94)48(30(3)4)74-61(50)90)52-57(34(39)11)102-58-35(12)56(87)47(71)45(53(58)73-52)60(89)77-51-37(14)101-69(98)55(33(9)10)81(18)44(86)27-79(16)64(93)41-22-20-24-83(41)66(95)49(31(5)6)75-62(51)91/h25,29-33,36-37,40-41,46,48-51,54-55H,19-24,26-28,70-71H2,1-18H3,(H,72,84)(H,74,90)(H,75,91)(H,76,88)(H,77,89)/t36?,37?,40?,41?,46-,48?,49?,50?,51?,54?,55?/m0/s1 > YSIALVLPAPHPRR-ILBRGTQCSA-N > 3.3 > 1426.71326695 > C69H98N14O19 > 1427.6 > CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=CC(=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)NC(=O)COC(=O)C(C(C)C)N > CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=CC(=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)NC(=O)COC(=O)[C@H](C(C)C)N > 437 > 1426.71326695 > 0 > 102 > 1 > 10 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 86 8 13 87 8 58 28 3 59 29 3 30 84 8 30 85 8 98 33 6 34 36 3 35 37 3 44 48 3 45 49 3 62 72 3 63 73 3 64 68 3 65 69 3 82 84 8 82 88 8 83 85 8 83 89 8 85 86 8 86 90 8 87 92 8 88 93 8 89 91 8 90 91 8 92 93 8 $$$$