B1JT6F -OEChem-04012112333D 28 30 0 0 0 0 0 0 0999 V2000 -4.6108 -0.8434 0.2625 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4732 0.4774 1.3287 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4136 1.3857 -0.2365 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1833 -0.3064 -0.5945 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5429 0.0576 1.7352 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7517 1.5450 0.0542 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4370 0.4005 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9018 -0.8927 0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -0.5004 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 0.5934 -0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0347 -1.9958 0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6716 -1.7773 -0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5862 0.8470 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9732 -0.0457 0.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4021 0.1399 0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9501 0.0688 -1.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3531 0.3052 -1.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7703 0.5413 0.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6745 1.5913 -0.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4066 -2.9957 0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -2.6250 -0.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4211 -0.1371 -2.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0227 0.3024 -1.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7747 0.7484 0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5716 -0.0646 1.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1946 0.2617 2.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6391 1.0905 0.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7806 2.5484 -0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 7 1 0 0 0 0 3 13 2 0 0 0 0 4 9 1 0 0 0 0 4 14 2 0 0 0 0 5 14 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 13 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 M END $$$$