54715172 -OEChem-04232423462D 200210 0 1 0 0 0 0 0999 V2000 16.3182 2.3831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4387 5.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5591 7.2612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3186 7.5437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1257 14.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 14.6918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9006 14.6700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7401 14.7264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4616 11.6677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5773 14.7695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4654 14.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2686 12.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2433 10.6572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5773 10.6141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5936 13.2193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3968 13.7376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9968 13.2477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3144 3.3831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4503 2.8798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3105 4.3831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5823 3.3764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6743 2.8661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6703 1.8244 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4426 4.8797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5785 4.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2556 4.6915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2618 3.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4704 1.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5744 1.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8423 3.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7453 3.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3067 5.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7370 1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6782 3.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7994 2.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5626 5.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9731 6.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5130 5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5108 6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1972 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1972 3.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3312 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1972 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 2.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5991 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1350 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1257 12.1918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1257 13.1918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9917 11.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8577 12.1918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2318 11.6571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8577 13.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 13.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7517 11.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2318 13.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3257 12.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6578 12.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3257 13.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7517 13.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6578 13.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5889 11.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3831 10.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1151 10.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5889 13.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4616 13.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5327 12.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5327 13.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4375 10.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7056 10.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2647 13.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1288 13.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8609 13.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7250 14.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3642 12.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3575 14.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1913 2.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3168 3.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6768 0.9745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9044 5.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3642 4.9582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9683 4.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8677 4.7900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0129 2.5142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8003 2.7749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6906 1.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0791 1.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1789 0.8296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9771 0.8358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3047 3.4760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3015 4.3055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1517 3.8948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3535 3.9071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9267 5.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3043 6.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6867 5.3807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3415 0.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1398 0.7998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2981 3.8637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6805 4.4861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0582 3.8685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5926 3.4795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1882 2.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2589 2.1210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8564 2.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9006 6.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5114 6.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5132 6.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0153 5.5909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8172 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5772 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8112 1.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 1.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 2.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 2.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 3.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1322 11.3418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5932 11.2169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3902 11.2169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8512 11.3418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6978 11.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3471 11.1874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1453 11.1781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 1.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 0.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7272 14.6667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0669 10.6805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8498 9.8310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6993 9.6139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8113 9.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6556 9.8635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 10.7077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2913 14.7848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0684 11.8372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2734 15.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0579 13.5314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5912 12.5993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1107 15.0857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3944 14.3576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1213 9.5708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9708 9.7880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7537 10.6375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4018 10.6647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1651 9.8204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0094 9.5837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5255 14.2208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7285 14.2177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9992 12.6277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0370 13.7186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2607 14.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4129 14.7901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8285 12.5748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6763 12.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8999 13.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8933 14.9271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0455 15.1508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8218 14.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28 1 1 1 0 0 0 1126 1 0 0 0 0 34 2 1 1 0 0 0 2127 1 0 0 0 0 46 3 1 1 0 0 0 51 3 1 1 0 0 0 4 48 1 0 0 0 0 4 50 1 0 0 0 0 5 51 1 0 0 0 0 5 54 1 0 0 0 0 6 50 2 0 0 0 0 53 7 1 6 0 0 0 7140 1 0 0 0 0 55 8 1 6 0 0 0 57 8 1 1 0 0 0 9 57 1 0 0 0 0 9 60 1 0 0 0 0 59 10 1 6 0 0 0 10150 1 0 0 0 0 61 11 1 6 0 0 0 63 11 1 6 0 0 0 12 63 1 0 0 0 0 12 67 1 0 0 0 0 65 13 1 1 0 0 0 13167 1 0 0 0 0 68 14 1 6 0 0 0 14168 1 0 0 0 0 71 15 1 1 0 0 0 15169 1 0 0 0 0 16 74 2 0 0 0 0 17 76 1 0 0 0 0 17176 1 0 0 0 0 18 81 1 0 0 0 0 18178 1 0 0 0 0 19 77 2 0 0 0 0 20 86 1 0 0 0 0 20181 1 0 0 0 0 21 87 2 0 0 0 0 22 92 2 0 0 0 0 72 23 1 6 0 0 0 23 84 1 0 0 0 0 23 85 1 0 0 0 0 24 83 1 0 0 0 0 24 90 1 0 0 0 0 24 91 1 0 0 0 0 25 87 1 0 0 0 0 25179 1 0 0 0 0 25180 1 0 0 0 0 26 89 1 0 0 0 0 26 92 1 0 0 0 0 26182 1 0 0 0 0 27 93 1 0 0 0 0 27 94 1 0 0 0 0 27191 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 37 1 0 0 0 0 29 31 1 0 0 0 0 29 38 1 0 0 0 0 29 98 1 1 0 0 0 30 34 1 0 0 0 0 30 36 1 0 0 0 0 30 42 1 1 0 0 0 31 32 1 0 0 0 0 31 35 1 0 0 0 0 31 99 1 6 0 0 0 32 33 1 0 0 0 0 32 41 1 0 0 0 0 32 44 1 1 0 0 0 33 39 1 0 0 0 0 33 43 1 0 0 0 0 33100 1 1 0 0 0 34 35 1 0 0 0 0 34101 1 0 0 0 0 35102 1 0 0 0 0 35103 1 0 0 0 0 36 40 1 0 0 0 0 36 47 1 1 0 0 0 36104 1 0 0 0 0 37 40 1 0 0 0 0 37105 1 0 0 0 0 37106 1 0 0 0 0 38 39 1 0 0 0 0 38107 1 0 0 0 0 38108 1 0 0 0 0 39109 1 0 0 0 0 39110 1 0 0 0 0 40111 1 0 0 0 0 40112 1 0 0 0 0 41 45 1 0 0 0 0 41113 1 0 0 0 0 41114 1 0 0 0 0 42115 1 0 0 0 0 42116 1 0 0 0 0 42117 1 0 0 0 0 43 46 1 0 0 0 0 43118 1 0 0 0 0 43119 1 0 0 0 0 44120 1 0 0 0 0 44121 1 0 0 0 0 44122 1 0 0 0 0 45 46 1 0 0 0 0 45123 1 0 0 0 0 45124 1 0 0 0 0 46125 1 0 0 0 0 47 48 1 0 0 0 0 47 49 2 0 0 0 0 48128 1 0 0 0 0 48129 1 0 0 0 0 49 50 1 0 0 0 0 49130 1 0 0 0 0 51 52 1 0 0 0 0 51131 1 0 0 0 0 52 53 1 0 0 0 0 52132 1 0 0 0 0 52133 1 0 0 0 0 53 55 1 0 0 0 0 53134 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 1 0 0 0 54135 1 0 0 0 0 55136 1 0 0 0 0 56137 1 0 0 0 0 56138 1 0 0 0 0 56139 1 0 0 0 0 57 58 1 0 0 0 0 57141 1 0 0 0 0 58 59 1 0 0 0 0 58142 1 0 0 0 0 58143 1 0 0 0 0 59 61 1 0 0 0 0 59144 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 1 0 0 0 60145 1 0 0 0 0 61146 1 0 0 0 0 62147 1 0 0 0 0 62148 1 0 0 0 0 62149 1 0 0 0 0 63 64 1 0 0 0 0 63151 1 0 0 0 0 64 65 1 0 0 0 0 64152 1 0 0 0 0 64153 1 0 0 0 0 65 71 1 0 0 0 0 65155 1 0 0 0 0 66 68 1 0 0 0 0 66 69 1 0 0 0 0 66 72 1 0 0 0 0 66154 1 6 0 0 0 67 71 1 0 0 0 0 67 78 1 6 0 0 0 67158 1 0 0 0 0 68 74 1 0 0 0 0 68 76 1 0 0 0 0 69 70 1 0 0 0 0 69156 1 0 0 0 0 69157 1 0 0 0 0 70 73 1 0 0 0 0 70 75 1 0 0 0 0 70159 1 6 0 0 0 71160 1 0 0 0 0 72 77 1 0 0 0 0 72161 1 0 0 0 0 73 74 1 0 0 0 0 73 81 2 0 0 0 0 75 79 1 0 0 0 0 75162 1 0 0 0 0 75163 1 0 0 0 0 76 80 2 0 0 0 0 77 80 1 0 0 0 0 78164 1 0 0 0 0 78165 1 0 0 0 0 78166 1 0 0 0 0 79 82 1 0 0 0 0 79 83 2 0 0 0 0 80 87 1 0 0 0 0 81 82 1 0 0 0 0 82 86 2 0 0 0 0 83 88 1 0 0 0 0 84170 1 0 0 0 0 84171 1 0 0 0 0 84172 1 0 0 0 0 85173 1 0 0 0 0 85174 1 0 0 0 0 85175 1 0 0 0 0 86 89 1 0 0 0 0 88 89 2 0 0 0 0 88177 1 0 0 0 0 90183 1 0 0 0 0 90184 1 0 0 0 0 90185 1 0 0 0 0 91186 1 0 0 0 0 91187 1 0 0 0 0 91188 1 0 0 0 0 92 93 1 0 0 0 0 93189 1 0 0 0 0 93190 1 0 0 0 0 94 95 1 0 0 0 0 94 96 1 0 0 0 0 94 97 1 0 0 0 0 95192 1 0 0 0 0 95193 1 0 0 0 0 95194 1 0 0 0 0 96195 1 0 0 0 0 96196 1 0 0 0 0 96197 1 0 0 0 0 97198 1 0 0 0 0 97199 1 0 0 0 0 97200 1 0 0 0 0 M END > 54715172 > 1 > 2680 > 25 > 13 > 14 > AAADcfB/vgAAAAAAAAAAAAAAAAAAAYIAAAA0aNGDAAAAAGDBAAAAHgAQCAAAD/zxmAcyzoPABgCIAqXSWAKCAAAhIgAAiIHNbMgbdz7a8fO2cAhn9BHf+Qf+7vyviEABQAQaEADQgAaQCDQgAYAADAAAAA== > (4S,4aS,5aR,12aR)-9-[[2-(tert-butylamino)acetyl]amino]-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > (4S,4aS,5aR,12aR)-9-[[2-(tert-butylamino)-1-oxoethyl]amino]-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[[(2R,4S,5S,6R)-5-[[(2S,4S,5S,6R)-5-[[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy]-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > (4S,4aS,5aR,12aR)-9-[[2-(tert-butylamino)acetyl]amino]-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > (4S,4aS,5aR,12aR)-9-[[2-(tert-butylamino)acetyl]amino]-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > (4S,4aS,5aR,12aR)-9-[2-(tert-butylamino)ethanoylamino]-4,7-bis(dimethylamino)-1,10,11,12a-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-10,13-dimethyl-3-[(2R,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-12,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > (4S,4aS,5aR,12aR)-9-[[2-(tert-butylamino)acetyl]amino]-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-diketo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > InChI=1S/C41H64O14.C29H39N5O8/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22;1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3;10,12,14,21,31,36-37,40,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+;12-,14-,21-,29-/m10/s1 > FFVTVMVLJBNBGD-VVSUPXOYSA-N > 1365.70946993 > C70H103N5O22 > 1366.6 > CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O.CC(C)(C)NCC(=O)NC1=CC(=C2CC3CC4C(C(=O)C(=C(C4(C(=O)C3=C(C2=C1O)O)O)O)C(=O)N)N(C)C)N(C)C > C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O.CC(C)(C)NCC(=O)NC1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=O)C(=C([C@]4(C(=O)C3=C(C2=C1O)O)O)O)C(=O)N)N(C)C)N(C)C > 409 > 1365.70946993 > 0 > 97 > 25 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 28 1 5 59 10 6 61 11 6 63 11 6 65 13 5 68 14 6 71 15 5 34 2 5 72 23 6 29 98 5 46 3 5 51 3 5 30 42 5 31 99 6 32 44 5 33 100 5 36 47 5 54 56 5 60 62 5 66 154 6 67 78 6 53 7 6 70 159 6 79 82 8 79 83 8 55 8 6 57 8 5 82 86 8 83 88 8 86 89 8 88 89 8 $$$$