B3KVQ8 -OEChem-04012113102D 29 30 0 0 0 0 0 0 0999 V2000 3.7891 0.2024 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8854 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -4.2514 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -2.5194 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 0.2024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8669 3.6850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 2.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 1.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1166 1.5165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1999 2.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8484 3.3220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7651 2.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7336 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.1954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6147 4.2514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4835 3.6202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 2 18 1 0 0 0 0 3 18 1 0 0 0 0 4 18 1 0 0 0 0 5 8 1 0 0 0 0 5 10 2 0 0 0 0 6 11 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 14 17 2 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 M END $$$$