BNTU62 -OEChem-04022106062D 39 42 0 0 0 0 0 0 0999 V2000 5.7646 2.1582 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8671 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0570 -1.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -1.9182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1985 1.2572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5282 -2.0180 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7976 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6985 -0.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -1.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5843 -2.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 0.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5995 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 -1.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0544 -2.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2841 -2.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8220 0.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1985 1.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5277 -2.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3521 -1.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0192 -2.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 0.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3498 -0.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5815 0.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3280 2.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1885 0.9601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0164 0.2064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7901 -0.6247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3549 -3.5267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8549 -3.0579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7315 -3.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7134 -2.1631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2071 -1.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6957 -3.4913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9435 1.4037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8026 -1.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1733 0.2802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8402 2.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6772 3.4967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8157 3.3337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 24 1 0 0 0 0 2 6 1 0 0 0 0 3 6 2 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 2 0 0 0 0 6 18 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 17 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 16 1 0 0 0 0 12 19 2 0 0 0 0 13 18 2 0 0 0 0 13 27 1 0 0 0 0 14 20 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 21 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 M CHG 2 2 -1 6 1 M END $$$$