BPUT52 -OEChem-04012115252D 22 23 0 1 0 0 0 0 0999 V2000 4.2044 1.5817 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8954 0.6307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 2.3907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 0.0429 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5134 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 -1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 -1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 1.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 -2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 -2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -2.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2568 -0.2386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8234 0.0937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0798 0.8828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 -1.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1074 -1.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 -2.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1074 -2.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -3.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 2.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 2 4 1 0 0 0 0 2 9 2 0 0 0 0 3 9 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 8 11 2 0 0 0 0 8 17 1 0 0 0 0 10 12 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 M END $$$$