B3CA2Q -OEChem-04012115033D 51 55 0 0 0 0 0 0 0999 V2000 -2.2065 -2.1938 2.5982 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6247 4.8688 -0.0677 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3169 -2.7990 1.4125 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5618 -0.9793 -2.0217 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9669 -1.0659 0.7877 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0172 0.3448 -2.4214 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3974 -1.8203 -0.5221 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5241 -0.2548 0.2137 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2229 -0.1873 -0.9695 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0148 1.9381 -0.9820 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4878 2.8571 0.7104 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7445 -2.4214 -0.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0155 -3.6378 -1.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6902 -3.4973 0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4085 -2.3708 0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3224 -1.1394 -0.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0546 -1.6323 -0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0601 1.0533 0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -2.0136 1.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8166 -1.0622 -1.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4517 1.5800 -1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1968 1.8159 1.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7595 -1.8248 1.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1592 -0.8734 -0.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6305 -1.2547 0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9798 2.8691 -1.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7249 3.1047 1.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1165 3.6314 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4538 0.1967 0.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4921 0.5670 -0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9684 1.8694 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9202 1.1926 1.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1952 0.6565 -1.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4618 2.4830 1.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6369 -3.5499 -2.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2398 -4.3899 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7540 -3.2864 0.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3862 -4.1796 0.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -1.5198 -1.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2676 -0.5650 1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1962 -2.4604 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4632 -0.7621 -2.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3763 1.0506 -2.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8955 1.4175 2.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8267 -0.4367 -1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2853 3.2806 -2.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8317 3.6986 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0751 -1.1701 -1.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1037 0.9870 2.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5461 2.7753 -1.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0634 3.2744 2.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 28 1 0 0 0 0 3 15 2 0 0 0 0 4 16 2 0 0 0 0 5 25 1 0 0 0 0 5 29 1 0 0 0 0 6 33 2 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 7 39 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 8 40 1 0 0 0 0 9 30 1 0 0 0 0 9 33 1 0 0 0 0 9 48 1 0 0 0 0 10 31 1 0 0 0 0 10 33 1 0 0 0 0 10 50 1 0 0 0 0 11 31 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 41 1 0 0 0 0 20 24 2 0 0 0 0 20 42 1 0 0 0 0 21 26 1 0 0 0 0 21 43 1 0 0 0 0 22 27 2 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 26 28 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 32 34 2 0 0 0 0 32 49 1 0 0 0 0 34 51 1 0 0 0 0 M END $$$$