BCH2T0 -OEChem-04012119002D 45 47 0 1 0 0 0 0 0999 V2000 9.2365 0.3870 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.5455 1.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5715 -1.6347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8764 -2.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5236 -2.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3442 -0.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4545 2.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1266 2.4646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2854 -0.9220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5715 0.7907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2854 0.0780 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8242 -0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2365 -1.2310 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2771 0.0821 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2771 -0.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 -1.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5455 -2.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6050 0.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8994 1.2424 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9329 0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1602 2.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 1.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 0.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 1.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7056 -0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1897 0.6905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7981 -1.6694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7041 -0.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9977 -0.3358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1349 0.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2688 0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2688 -1.5114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1349 -1.3742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9977 -0.5082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7332 1.3892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4619 1.6817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0679 -3.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 2.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1096 -0.4191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 1.8766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -0.8352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6162 3.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 0.3127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 3 15 2 0 0 0 0 4 18 1 0 0 0 0 4 39 1 0 0 0 0 5 18 2 0 0 0 0 6 19 2 0 0 0 0 7 22 1 0 0 0 0 7 44 1 0 0 0 0 8 22 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 10 37 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 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$