11980983 -OEChem-04252423262D 187194 0 1 0 0 0 0 0999 V2000 13.6206 0.9030 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.1195 5.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2890 7.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9769 8.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4533 9.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4674 8.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5157 11.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8402 9.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5587 12.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5750 6.2338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3957 9.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7405 12.4487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3339 13.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9729 13.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2305 16.5758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9713 6.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6547 5.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5002 6.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 8.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2956 10.1601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5977 11.9825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0847 1.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2187 0.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7822 14.9028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0371 11.2310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3527 2.9030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1467 8.2864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2986 7.2559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2228 8.6691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4771 6.6155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0706 8.6691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4533 9.5930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3868 8.0478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5148 7.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0706 10.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9477 6.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8402 9.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1264 10.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1467 10.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2990 9.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2228 10.5169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8516 11.2979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8884 11.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3682 11.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1814 10.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6609 12.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5970 6.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9731 8.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9272 5.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7746 12.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2999 12.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5467 7.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0070 13.6780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0674 12.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1241 6.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5429 7.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7482 14.6439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6978 5.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1165 6.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6939 5.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4553 15.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4212 15.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1964 16.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5234 15.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1283 15.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9036 17.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5575 16.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8695 16.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8504 15.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2987 17.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8845 15.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3327 17.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6256 16.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4710 10.3300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4710 10.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0945 9.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8475 9.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8720 8.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9710 8.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0701 8.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8772 7.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7416 7.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 9.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4534 7.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 6.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6718 6.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 9.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6005 12.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4726 7.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8621 8.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1666 12.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8850 5.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4788 4.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3994 6.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5925 7.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4866 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3527 1.9030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9866 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9866 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2187 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9320 7.9612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9609 5.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6484 8.8938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8913 7.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8955 7.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3790 6.4092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3296 5.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4357 6.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5009 9.8406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6811 10.6118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5362 9.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7262 9.2891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0617 8.4790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3438 11.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4517 11.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9671 11.4672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5287 12.2266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7694 11.7882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3419 10.2157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7803 10.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0209 11.4134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7633 10.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9712 8.0695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2647 12.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5199 13.1502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0572 12.4054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4668 6.1156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5118 5.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3875 5.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1674 13.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5059 13.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6290 13.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6290 12.4586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5065 6.5541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8049 8.1637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5877 15.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4358 5.2271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7341 6.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1334 12.8203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0496 5.3684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3438 14.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5817 14.4933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5976 16.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7272 15.6389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7431 17.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3079 17.2037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0108 14.8215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7371 17.5318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4460 15.2408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1723 17.9511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0268 16.8056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8009 10.8550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0296 10.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3331 10.9345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6531 9.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4811 10.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4189 11.2773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2970 8.2753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9577 10.5878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7194 7.2506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2021 7.2567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 13.2272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8976 13.5168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6080 12.6892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2673 5.7358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8315 5.0646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5027 5.6288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1275 4.4343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9897 4.5940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 5.4561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6706 6.2802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9570 7.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1283 7.3954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.5868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4097 6.8116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1849 7.2214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8896 2.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5236 2.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6766 2.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4497 1.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4497 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2966 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5236 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8896 3.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8157 3.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0837 1.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6216 1.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 96 1 0 0 0 0 1186 1 0 0 0 0 2 30 1 0 0 0 0 2 36 1 0 0 0 0 28 3 1 1 0 0 0 3 47 1 0 0 0 0 31 4 1 1 0 0 0 4 48 1 0 0 0 0 32 5 1 6 0 0 0 5122 1 0 0 0 0 33 6 1 6 0 0 0 6123 1 0 0 0 0 41 7 1 6 0 0 0 7 50 1 0 0 0 0 8 37 2 0 0 0 0 42 9 1 1 0 0 0 9 51 1 0 0 0 0 10 47 2 0 0 0 0 11 48 2 0 0 0 0 12 50 2 0 0 0 0 13 51 2 0 0 0 0 53 14 1 1 0 0 0 14139 1 0 0 0 0 15 64 2 0 0 0 0 16 81 1 0 0 0 0 16 92 1 0 0 0 0 17 85 1 0 0 0 0 17 93 1 0 0 0 0 18 86 1 0 0 0 0 18 94 1 0 0 0 0 19 90 1 0 0 0 0 19 95 1 0 0 0 0 20 87 2 0 0 0 0 21 88 2 0 0 0 0 22100 1 0 0 0 0 22187 1 0 0 0 0 23100 2 0 0 0 0 57 24 1 1 0 0 0 24 64 1 0 0 0 0 24141 1 0 0 0 0 74 25 1 1 0 0 0 25 88 1 0 0 0 0 25157 1 0 0 0 0 97 26 1 1 0 0 0 26184 1 0 0 0 0 26185 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 0 0 0 0 27101 1 1 0 0 0 28 30 1 0 0 0 0 28 36 1 0 0 0 0 29 33 1 0 0 0 0 29 37 1 0 0 0 0 29 40 1 6 0 0 0 30 34 1 0 0 0 0 30102 1 1 0 0 0 31 32 1 0 0 0 0 31103 1 0 0 0 0 32 35 1 0 0 0 0 32 38 1 0 0 0 0 33 34 1 0 0 0 0 33104 1 0 0 0 0 34105 1 0 0 0 0 34106 1 0 0 0 0 35 39 1 0 0 0 0 35 44 1 0 0 0 0 35 45 1 0 0 0 0 36107 1 0 0 0 0 36108 1 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 38109 1 0 0 0 0 38110 1 0 0 0 0 39 41 1 0 0 0 0 39 43 2 0 0 0 0 40111 1 0 0 0 0 40112 1 0 0 0 0 40113 1 0 0 0 0 41114 1 0 0 0 0 42 43 1 0 0 0 0 42115 1 0 0 0 0 43 46 1 0 0 0 0 44116 1 0 0 0 0 44117 1 0 0 0 0 44118 1 0 0 0 0 45119 1 0 0 0 0 45120 1 0 0 0 0 45121 1 0 0 0 0 46124 1 0 0 0 0 46125 1 0 0 0 0 46126 1 0 0 0 0 47 49 1 0 0 0 0 48 52 1 0 0 0 0 49127 1 0 0 0 0 49128 1 0 0 0 0 49129 1 0 0 0 0 50 54 1 0 0 0 0 51 53 1 0 0 0 0 52 55 2 0 0 0 0 52 56 1 0 0 0 0 53 57 1 0 0 0 0 53130 1 0 0 0 0 54131 1 0 0 0 0 54132 1 0 0 0 0 54133 1 0 0 0 0 55 58 1 0 0 0 0 55134 1 0 0 0 0 56 59 2 0 0 0 0 56135 1 0 0 0 0 57 61 1 0 0 0 0 57136 1 0 0 0 0 58 60 2 0 0 0 0 58137 1 0 0 0 0 59 60 1 0 0 0 0 59138 1 0 0 0 0 60140 1 0 0 0 0 61 62 2 0 0 0 0 61 63 1 0 0 0 0 62 65 1 0 0 0 0 62142 1 0 0 0 0 63 66 2 0 0 0 0 63143 1 0 0 0 0 64 67 1 0 0 0 0 65 68 2 0 0 0 0 65144 1 0 0 0 0 66 68 1 0 0 0 0 66145 1 0 0 0 0 67 69 2 0 0 0 0 67 70 1 0 0 0 0 68146 1 0 0 0 0 69 71 1 0 0 0 0 69147 1 0 0 0 0 70 72 2 0 0 0 0 70148 1 0 0 0 0 71 73 2 0 0 0 0 71149 1 0 0 0 0 72 73 1 0 0 0 0 72150 1 0 0 0 0 73151 1 0 0 0 0 74 75 1 0 0 0 0 74 77 1 0 0 0 0 74152 1 0 0 0 0 75 76 1 0 0 0 0 75153 1 0 0 0 0 75154 1 0 0 0 0 76 78 1 0 0 0 0 76155 1 0 0 0 0 76156 1 0 0 0 0 77 80 1 0 0 0 0 77 83 2 0 0 0 0 78 79 1 0 0 0 0 78 82 2 0 0 0 0 79 80 1 0 0 0 0 79 81 2 0 0 0 0 80 84 2 0 0 0 0 81 85 1 0 0 0 0 82 86 1 0 0 0 0 82158 1 0 0 0 0 83 87 1 0 0 0 0 83159 1 0 0 0 0 84 89 1 0 0 0 0 84160 1 0 0 0 0 85 86 2 0 0 0 0 87 90 1 0 0 0 0 88 91 1 0 0 0 0 89 90 2 0 0 0 0 89161 1 0 0 0 0 91162 1 0 0 0 0 91163 1 0 0 0 0 91164 1 0 0 0 0 92165 1 0 0 0 0 92166 1 0 0 0 0 92167 1 0 0 0 0 93168 1 0 0 0 0 93169 1 0 0 0 0 93170 1 0 0 0 0 94171 1 0 0 0 0 94172 1 0 0 0 0 94173 1 0 0 0 0 95174 1 0 0 0 0 95175 1 0 0 0 0 95176 1 0 0 0 0 96 97 1 0 0 0 0 96 98 1 0 0 0 0 96 99 1 0 0 0 0 97100 1 0 0 0 0 97177 1 0 0 0 0 98178 1 0 0 0 0 98179 1 0 0 0 0 98180 1 0 0 0 0 99181 1 0 0 0 0 99182 1 0 0 0 0 99183 1 0 0 0 0 M END > 11980983 > 1 > 2660 > 24 > 8 > 21 > AAADcfB/PgBAAAAAAAAAAAAAAABIAAAAAAAwYMGDBggaIACBVAAAHgQQCAAAD3zh2AYyDoLABgSIAqHSGAKCCAAkIAAIiIHOjMgPNz6EtR+GcSpn9hWbqYfa/P/PoAABCAAYQABCAAYQADCAAAAAAAAAAA== > (2S)-2-amino-3-methyl-3-sulfanyl-butanoic acid;[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetoxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenyl-propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > (2S)-2-amino-3-mercapto-3-methylbutanoic acid;benzoic acid [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-1-oxo-3-phenylpropoxy]-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] ester;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > (2S)-2-azanyl-3-methyl-3-sulfanyl-butanoic acid;[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-oxidanyl-3-phenyl-propanoyl]oxy-10,14,17,17-tetramethyl-1,9-bis(oxidanyl)-11-oxidanylidene-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;N-[(7S)-1,2,3,10-tetramethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide > (2S)-2-amino-3-mercapto-3-methyl-butyric acid;benzoic acid [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetoxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenyl-propanoyl]oxy-1,9-dihydroxy-11-keto-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] ester;N-[(7S)-9-keto-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > InChI=1S/C47H51NO14.C22H25NO6.C5H11NO2S/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5;1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16;1-5(2,9)3(6)4(7)8/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54);7,9-11,16H,6,8H2,1-5H3,(H,23,24);3,9H,6H2,1-2H3,(H,7,8)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+;16-;3-/m000/s1 > BSPZHQUQLDSFHT-FBXFINDGSA-N > 1401.55019259 > C74H87N3O22S > 1402.6 > CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C.CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC.CC(C)(C(C(=O)O)N)S > CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C.CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC.CC(C)([C@H](C(=O)O)N)S > 369 > 1401.55019259 > 0 > 100 > 13 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 53 14 5 57 24 5 74 25 5 97 26 5 27 101 5 29 40 6 28 3 5 30 102 5 31 4 5 32 5 6 52 55 8 52 56 8 55 58 8 56 59 8 58 60 8 59 60 8 33 6 6 61 62 8 61 63 8 62 65 8 63 66 8 65 68 8 66 68 8 67 69 8 67 70 8 69 71 8 41 7 6 70 72 8 71 73 8 72 73 8 77 80 8 77 83 8 78 79 8 78 82 8 79 81 8 80 84 8 81 85 8 82 86 8 83 87 8 84 89 8 85 86 8 87 90 8 89 90 8 42 9 5 $$$$