D02TBI -OEChem-10101305022D 44 46 0 1 0 0 0 0 0999 V2000 9.2365 0.3870 0.0000 S 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 1 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 2 0 0 0 0 0 0 0 0 0 7.2771 0.0821 0.0000 C 0 0 1 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 8.1542 0.9178 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 4.2996 1.8447 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 10 1 0 0 0 0 1 11 1 0 0 0 0 2 14 2 0 0 0 0 3 17 1 0 0 0 0 3 38 1 0 0 0 0 4 17 2 0 0 0 0 5 18 2 0 0 0 0 6 21 1 0 0 0 0 6 43 1 0 0 0 0 7 21 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 13 9 1 1 0 0 0 9 18 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 0 0 0 0 10 27 1 6 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 6 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 25 2 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 26 1 0 0 0 0 25 42 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$