BL13FE -OEChem-04022101242D 52 55 0 1 0 0 0 0 0999 V2000 8.8067 2.4780 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 2.0366 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1298 -3.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6840 -1.3791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6438 -2.1012 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.8067 0.4086 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3147 2.4433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.9433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8280 -2.6796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1260 -3.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4460 -2.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1260 -3.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6554 -1.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7952 -0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8806 -2.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7128 0.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 0.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7128 1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 2.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 3.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7381 -2.0662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5181 -3.7560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1837 -4.2515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0094 -2.9570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7622 -2.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0540 -4.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7309 -3.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2647 -1.2160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8741 -0.5212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1859 -0.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5764 -1.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9219 0.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3237 1.0286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3237 1.8580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9219 2.5478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.1767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2517 -3.6280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.0633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 0.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 0.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 0.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 3.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 4.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.7149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 25 1 0 0 0 0 2 28 1 0 0 0 0 3 15 1 0 0 0 0 3 45 1 0 0 0 0 4 15 2 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 23 1 0 0 0 0 7 24 2 0 0 0 0 8 24 1 0 0 0 0 8 48 1 0 0 0 0 8 49 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 1 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 16 18 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 20 44 1 0 0 0 0 21 23 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 M END $$$$