D05KUM -OEChem-04152109402D 39 42 0 0 0 0 0 0 0999 V2000 3.7230 -2.4898 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5448 0.6755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 2.4775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9786 -0.2254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4786 -2.4161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1081 1.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5476 0.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6742 2.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1137 1.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9786 -0.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3552 -1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5777 -1.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3648 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6021 -1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3796 -1.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 -1.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5926 -0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1322 -2.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3616 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1298 -2.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5519 1.0689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6115 1.8637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9507 0.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6093 0.1334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2710 2.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 3.0197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6698 2.0842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6103 1.2893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 3.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0459 -0.3890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4786 -3.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7236 -0.0789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9872 -3.3052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -1.4532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 -2.1956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -2.6621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9534 -1.2025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5827 -2.8265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 30 1 0 0 0 0 4 10 2 0 0 0 0 4 14 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 5 32 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 16 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 33 1 0 0 0 0 18 21 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$