BU57IB -OEChem-04012118242D 29 29 0 1 0 0 0 0 0999 V2000 2.4216 0.0000 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 3.4445 3.1383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3754 3.8106 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1844 4.3984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5664 4.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8754 5.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8754 5.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7876 3.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9632 3.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1355 4.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9445 4.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7535 4.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4445 3.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3174 3.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.6506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2564 3.8615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4819 5.4784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8106 5.9660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9402 5.9660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 5.4784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 3.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4232 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2892 2.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4616 2.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3276 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4648 3.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9445 5.2972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3432 4.2810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8089 2.6367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 1 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 M CHG 2 1 -1 3 1 M END $$$$