BR89XZ -OEChem-04012114122D 62 65 0 1 0 0 0 0 0999 V2000 2.9128 2.3140 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3212 3.2268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5045 1.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 4.0732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 -0.5683 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8257 1.9057 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9412 -3.8726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9285 0.9110 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7937 0.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1842 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5893 -0.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2519 -1.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6357 2.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9412 -2.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9950 -2.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5248 -3.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5329 3.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9950 -3.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5248 -3.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 -2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 -4.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 -2.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 -3.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 -5.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0248 -3.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0248 -2.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2401 5.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0248 -3.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0248 -2.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5248 -3.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 1.1342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 0.2169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0468 0.9754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8206 0.7454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 -0.0659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9994 -0.8617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7172 -1.2778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -1.6046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6344 -0.8247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9065 1.9344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 2.6619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2621 4.0445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9366 3.3169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2532 3.2883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 2.9755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7468 2.1564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1338 -4.4619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 -1.4479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -2.2579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -3.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -5.0679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 -5.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 -5.0679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7148 -4.4708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7148 -1.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8568 5.1316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1764 5.6846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6234 5.0041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3348 -4.4708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3348 -1.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1448 -3.0679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 19 1 0 0 0 0 4 17 1 0 0 0 0 4 28 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 48 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 17 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 18 1 0 0 0 0 15 21 2 0 0 0 0 16 20 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 22 2 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 26 2 0 0 0 0 20 27 1 0 0 0 0 21 23 1 0 0 0 0 21 49 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 29 1 0 0 0 0 26 55 1 0 0 0 0 27 30 2 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 31 2 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 M END $$$$