B1O4NA -OEChem-04022103223D 52 55 0 0 0 0 0 0 0999 V2000 -2.2657 -3.5343 0.5161 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4887 -1.6777 0.5637 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9762 4.6866 -0.4025 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.9390 3.8692 -0.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7378 0.1773 -0.1523 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -1.7395 -0.7910 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 -2.5350 0.5289 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1805 3.7192 -0.3340 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5998 0.2202 1.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1142 0.4857 -0.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9756 1.5971 1.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5394 1.8715 -0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3831 1.9991 1.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3303 -1.1299 -0.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8479 -1.2902 -0.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2424 -2.3276 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0668 -0.4023 -1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 -2.4772 -0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6804 -0.5519 -1.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0749 -1.5894 -0.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3211 0.0207 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4398 -1.1631 0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7147 -0.1477 0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9717 -1.1074 0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8317 1.3207 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9987 -2.3727 0.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2779 -1.5057 0.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5867 0.9460 0.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7017 2.4127 -0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0756 2.2259 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2277 -0.5452 1.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5637 0.0195 1.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1866 0.4777 -1.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8140 -0.2705 -0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2572 2.3447 1.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9088 1.5902 2.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5819 2.0593 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9312 2.6384 -0.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1153 1.3531 1.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5924 3.0273 1.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8130 -1.9430 -0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6701 -1.2503 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8376 -3.0263 0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5241 0.4078 -2.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3932 -3.2886 0.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0803 0.1441 -2.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4725 -0.4507 0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7573 1.4670 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6623 0.8189 0.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7083 -3.4773 0.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7786 3.0528 -0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9019 -4.2573 0.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 52 1 0 0 0 0 2 27 2 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 20 1 0 0 0 0 6 24 2 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 7 50 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 17 19 2 0 0 0 0 17 44 1 0 0 0 0 18 20 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 22 26 2 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 24 47 1 0 0 0 0 25 29 2 0 0 0 0 25 48 1 0 0 0 0 28 30 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 30 51 1 0 0 0 0 M CHG 2 3 -1 8 1 M END $$$$