DR1779 -OEChem-05042003363D 46 48 0 1 0 0 0 0 0999 V2000 -3.2515 -3.4207 -0.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -2.3494 -1.8577 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -2.4519 1.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3873 4.5384 -0.1962 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.2581 3.5517 -0.7836 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0915 -1.5923 0.0295 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 3.5126 -0.2949 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2819 -2.2868 0.4644 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0418 -1.4804 1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5886 -0.1559 1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2506 -0.9367 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1797 -2.6835 -0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1528 -1.7212 0.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3769 0.2024 0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8628 -0.1064 0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 0.9797 1.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3714 0.5775 -0.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -0.5549 0.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2452 -0.5677 -1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2979 0.1844 -1.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3673 1.1152 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 2.2013 0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 2.2691 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4504 0.5951 1.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4392 1.3349 -1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5031 1.3476 0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4973 1.7169 -0.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1578 -3.8193 -1.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9515 -3.2293 0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8715 -2.0781 1.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3841 -1.2973 2.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -0.9321 -0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4812 -0.9955 0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8053 0.9381 1.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3097 -0.8403 1.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4578 -0.8700 -1.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2765 0.4560 -2.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3705 1.1304 -0.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6744 3.0794 0.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4760 0.3179 2.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4558 1.6347 -2.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3272 1.6452 1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3170 2.3027 -1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6451 -4.4536 -2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5878 -2.9388 -1.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9653 -4.3950 -0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 28 1 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 32 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 24 2 0 0 0 0 15 21 1 0 0 0 0 15 33 1 0 0 0 0 16 22 2 0 0 0 0 16 34 1 0 0 0 0 17 20 1 0 0 0 0 17 25 2 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 27 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M CHG 2 4 -1 7 1 M END $$$$