B8J7AD -OEChem-04022106443D 54 57 0 0 0 0 0 0 0999 V2000 -3.9307 -2.6002 0.0975 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1464 -1.6840 -1.6402 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 3.4448 -0.1132 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0141 2.9988 -0.7416 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0845 0.9584 1.2145 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7133 -3.6666 -0.5407 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7269 -1.8747 -1.6463 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5343 -0.3629 0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0514 -0.4390 1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8401 0.2837 0.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3649 0.5206 -0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5887 -1.5996 -0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1826 0.3541 0.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4488 1.5137 -0.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0737 1.1772 0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3516 2.3394 -1.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1554 2.1791 -0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 -3.8617 -0.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1217 1.7013 1.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1532 2.8085 -0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1443 -4.8592 0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0644 4.0503 -1.7503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 1.4735 1.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2700 0.4880 1.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1397 -0.8698 1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2286 0.9372 0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9766 -1.7877 0.7751 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0653 0.0194 -0.4022 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9393 -1.3431 -0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8133 -2.2995 -0.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5940 0.1646 2.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4562 -1.3757 2.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7613 -0.1771 0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9025 1.3628 0.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1106 -0.4254 1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3606 1.6564 -1.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4601 3.1015 -2.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9321 -4.2137 -0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4116 -3.7463 -1.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6166 -4.9715 1.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1212 -4.5115 0.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1055 -5.8372 -0.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8486 4.7681 -1.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2582 3.6060 -2.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8853 4.5905 -1.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8912 2.4188 2.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0851 1.0966 2.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3921 -1.2276 2.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3492 1.9947 0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 -2.8343 1.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8063 0.3997 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0431 -4.0759 0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3332 -4.3184 -1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2389 -2.6897 -2.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 2 12 2 0 0 0 0 3 20 2 0 0 0 0 4 17 1 0 0 0 0 4 20 1 0 0 0 0 4 22 1 0 0 0 0 5 15 1 0 0 0 0 5 19 2 0 0 0 0 6 30 1 0 0 0 0 6 52 1 0 0 0 0 6 53 1 0 0 0 0 7 30 2 0 0 0 0 7 54 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 14 16 2 0 0 0 0 14 36 1 0 0 0 0 15 17 2 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 18 21 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 26 28 2 0 0 0 0 26 49 1 0 0 0 0 27 29 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 M END $$$$