BA79XE -OEChem-04042106243D 44 47 0 1 0 0 0 0 0999 V2000 3.9159 2.6363 -0.0741 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9057 -2.4189 1.1006 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4428 2.4672 0.4302 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9371 -1.7587 -0.1557 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2386 -1.4724 -0.9494 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8571 -3.7206 -0.4038 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6539 2.9493 0.1805 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 0.5706 -0.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4328 -0.8406 -0.2076 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9527 0.3100 0.2314 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6203 -0.0713 0.5944 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6218 -1.2465 1.5165 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8593 -0.9257 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7171 -0.1223 -0.6129 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4392 0.4322 -1.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5301 0.7561 -0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3302 -2.4666 -0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2419 0.2325 -0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6812 2.1087 -0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1595 1.0659 -0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4166 2.4046 0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3327 1.2717 0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5783 0.4650 0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8159 1.0302 0.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5694 -1.5607 -0.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8070 -0.9955 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1781 -1.1004 0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7265 0.9070 1.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6522 -1.0444 2.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1333 -1.5745 -0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7043 -0.5087 1.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2335 -0.2550 -2.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7585 0.5425 -2.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9237 1.3982 -1.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0359 -0.8155 -0.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3972 -3.9328 -1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9515 -4.4743 0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3427 3.1430 0.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2312 -0.4242 -0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9534 2.0772 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4475 -2.6098 -0.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9770 -1.8402 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3486 -0.3098 -0.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2204 -0.6989 1.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 22 2 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 14 1 0 0 0 0 5 17 2 0 0 0 0 6 17 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 19 1 0 0 0 0 7 21 2 0 0 0 0 8 20 1 0 0 0 0 8 22 1 0 0 0 0 8 39 1 0 0 0 0 9 23 1 0 0 0 0 9 25 2 0 0 0 0 10 24 1 0 0 0 0 10 26 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 18 20 2 0 0 0 0 18 35 1 0 0 0 0 20 21 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M END $$$$