BW5VU8 -OEChem-04012117242D 41 44 0 0 0 0 0 0 0999 V2000 3.6612 0.9186 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5763 -0.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 -2.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2298 -2.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3464 1.3323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1064 1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0904 2.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9884 2.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8905 2.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8824 1.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9724 0.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2404 0.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2404 -0.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9724 -0.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1064 -0.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3464 -0.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4404 0.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4404 -0.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5763 1.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -1.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4756 2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9949 1.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4982 2.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8723 2.9195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4812 2.2236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3857 3.3429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5874 3.3398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5005 2.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1040 2.9281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0870 0.7192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4941 1.4059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1064 -1.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9379 2.7298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5787 -1.3465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2483 3.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9376 2.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3832 1.5012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0624 0.9467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5050 -2.8669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 22 1 0 0 0 0 2 18 1 0 0 0 0 2 36 1 0 0 0 0 3 20 1 0 0 0 0 3 41 1 0 0 0 0 4 20 2 0 0 0 0 5 12 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 21 2 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$