B0IKM3 -OEChem-04022101242D 45 47 0 1 0 0 0 0 0999 V2000 8.8067 3.0445 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 0.0154 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8067 0.9752 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.6438 -1.5346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.0099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.5099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7128 1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7952 -0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7128 2.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6554 -0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5040 -2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4924 -3.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9219 0.9054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3237 1.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1859 0.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5764 -0.6048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3237 2.4246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9219 3.1144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2647 -0.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8741 0.0454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.3899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1033 -1.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 2.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1133 -2.1593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7228 -1.4645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8725 -3.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4853 -3.6645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1124 -3.0517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 2.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 2.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 2.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.7383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -0.7590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 20 1 0 0 0 0 2 23 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 11 1 0 0 0 0 4 17 1 0 0 0 0 4 34 1 0 0 0 0 5 15 1 0 0 0 0 5 19 2 0 0 0 0 6 19 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 10 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 13 32 1 0 0 0 0 14 16 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 M END $$$$