L9IJF3 -OEChem-05022323462D 42 43 0 1 0 0 0 0 0999 V2000 3.9998 -1.2063 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1223 1.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0768 -4.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5409 -4.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7768 -2.4934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 0.5538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3088 -0.2552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 3.1899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7657 4.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 3.8944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8088 -1.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8088 -2.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6178 -1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 2.2764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3088 -0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1278 1.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6749 -3.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9428 -3.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5689 -1.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5455 2.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9428 -4.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6749 -4.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8088 -4.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3120 -0.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 3.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 2.7780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1044 0.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2118 -2.9841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4059 -2.9841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4807 2.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9289 2.1070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6103 1.5552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8088 -5.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7269 -1.3069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7728 -0.4313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8972 -0.3854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0768 -5.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5409 -5.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 5.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3823 4.9773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.3960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1122 3.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 15 1 0 0 0 0 2 16 2 0 0 0 0 3 21 1 0 0 0 0 3 37 1 0 0 0 0 4 22 1 0 0 0 0 4 38 1 0 0 0 0 5 19 2 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 27 1 0 0 0 0 7 13 1 0 0 0 0 7 15 2 0 0 0 0 14 8 1 1 0 0 0 8 25 2 0 0 0 0 9 25 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 25 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 14 26 1 0 0 0 0 17 22 1 0 0 0 0 17 28 1 0 0 0 0 18 21 2 0 0 0 0 18 29 1 0 0 0 0 19 24 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 M END $$$$