B0YRI3 -OEChem-04022103232D 49 52 0 1 0 0 0 0 0999 V2000 8.6970 -2.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 -0.9339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6147 -2.8180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.1156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.3844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.8844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.6156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4456 -1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1147 -1.9520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6366 -2.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1093 -1.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6916 -2.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 3.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 3.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5645 -0.9964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9472 -0.8444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1356 -0.6719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4524 -2.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0166 -2.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5718 -3.2267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8669 -3.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 -1.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.7702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 2.5390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7564 -3.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3082 -2.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6268 -1.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.0515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.7173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.7644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 4.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8421 3.9214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 3.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2221 2.8475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 1.5744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 3.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 19 1 0 0 0 0 2 11 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 34 1 0 0 0 0 7 4 1 1 0 0 0 4 12 1 0 0 0 0 4 35 1 0 0 0 0 5 12 2 0 0 0 0 5 15 1 0 0 0 0 6 14 1 0 0 0 0 6 15 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 6 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 18 2 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 16 36 1 0 0 0 0 17 22 1 0 0 0 0 17 23 2 0 0 0 0 18 21 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 23 43 1 0 0 0 0 24 27 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 M END $$$$