B50MRB -OEChem-04012115532D 37 39 0 0 0 0 0 0 0999 V2000 4.9389 0.6424 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2177 -1.1177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2947 -2.7055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 5.7055 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 4.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8357 -1.1177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5267 -0.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 4.7920 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0267 -2.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7579 2.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0267 -4.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 1.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1607 -3.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8927 -3.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1607 -4.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0267 -1.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8927 -4.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 3.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 3.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 3.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0267 -5.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5267 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8597 1.2092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7764 2.0019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4297 -2.8955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6238 -4.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4297 -4.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5112 1.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7812 3.3433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 3.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 4.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4067 -5.7055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0267 -6.3255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6467 -5.7055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7577 -3.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 24 1 0 0 0 0 2 16 1 0 0 0 0 2 24 1 0 0 0 0 3 13 1 0 0 0 0 3 37 1 0 0 0 0 4 8 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 16 2 0 0 0 0 7 24 2 0 0 0 0 8 20 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 18 2 0 0 0 0 10 19 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 11 23 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 14 17 2 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 17 29 1 0 0 0 0 18 21 1 0 0 0 0 18 30 1 0 0 0 0 19 22 2 0 0 0 0 19 31 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 M CHG 2 4 -1 8 1 M END $$$$