B5R8IH -OEChem-04022105593D 33 33 0 1 0 0 0 0 0999 V2000 -1.8041 1.9228 0.1834 P 0 0 1 0 0 0 0 0 0 0 0 0 -2.9796 2.2509 -0.8721 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1072 3.4620 -0.9537 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 2.7173 1.4445 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5241 0.5260 -0.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 -2.5857 -0.5431 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1754 -3.2450 1.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3136 -1.2755 0.4180 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1640 -1.3484 -1.4557 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5487 -2.4568 0.2473 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3606 -0.8602 -0.3043 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0418 0.1550 0.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1851 -0.6717 -0.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3158 2.0679 -0.7667 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3625 -2.1755 -0.5588 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8482 1.4873 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3594 1.7446 1.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1537 -2.7247 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4598 0.8647 1.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5181 0.1449 0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2138 -0.2087 1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9512 0.0679 1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 -0.5123 -1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0439 -0.3039 -1.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4073 1.6029 -1.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4545 -2.7090 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 2.1217 -0.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 2.4667 1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8797 3.8082 -1.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6509 -3.4639 0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4451 -2.0683 1.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1243 0.7722 2.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7692 -2.9412 -0.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 27 1 0 0 0 0 3 14 1 0 0 0 0 3 29 1 0 0 0 0 5 16 1 0 0 0 0 5 20 1 0 0 0 0 6 18 1 0 0 0 0 6 33 1 0 0 0 0 7 18 2 0 0 0 0 8 11 1 0 0 0 0 9 11 2 0 0 0 0 10 15 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 15 18 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 M CHG 2 8 -1 11 1 M END $$$$