B5VP9J -OEChem-04022109002D 42 44 0 1 0 0 0 0 0999 V2000 11.1706 -3.2025 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7612 -2.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -2.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.7590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.0641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.2209 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9889 -1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9459 -1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1737 -0.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2351 -2.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 -1.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -3.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8815 -2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5243 -3.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 -2.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7227 0.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7227 1.1553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 1.8545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 2.1122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5598 -1.3398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9665 -0.8074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7803 -0.3702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3015 0.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5670 -0.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2227 -2.6135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7104 -1.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1317 -3.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2955 -1.5843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7169 -4.3299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 11 2 1 1 0 0 0 2 38 1 0 0 0 0 3 13 1 0 0 0 0 3 20 1 0 0 0 0 4 12 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 19 3 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 15 2 0 0 0 0 10 14 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$