D0CI4A -OEChem-09301911262D 57 61 0 0 0 0 0 0 0999 V2000 5.5060 -2.5413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 -0.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 0.6153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8648 -0.8847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7899 -2.0827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 1.1153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 -0.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 -0.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 -0.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 1.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 1.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7617 -1.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 -1.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 -1.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7930 1.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6590 0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7930 2.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5251 1.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5251 2.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6590 2.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4190 0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4190 2.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3251 1.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3251 2.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 -1.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1983 -1.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9954 -1.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5188 1.1979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1202 0.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6749 -0.9673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0734 -0.2771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9954 1.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1983 1.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7274 1.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9304 1.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7964 0.1403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5934 0.1403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5397 -2.6499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 0.9324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 -1.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 1.7353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 1.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 0.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6590 -0.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2561 2.4253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6590 3.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4118 -0.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4118 3.2699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8608 0.7824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8608 2.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 21 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 5 45 1 0 0 0 0 6 15 1 0 0 0 0 6 21 1 0 0 0 0 6 48 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 15 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 46 1 0 0 0 0 18 20 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 51 1 0 0 0 0 24 27 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 28 2 0 0 0 0 26 27 1 0 0 0 0 26 29 2 0 0 0 0 27 53 1 0 0 0 0 28 30 1 0 0 0 0 28 54 1 0 0 0 0 29 31 1 0 0 0 0 29 55 1 0 0 0 0 30 31 2 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 M END $$$$