B9I4LK -OEChem-04012115142D 42 41 0 1 0 0 0 0 0999 V2000 7.4225 2.5841 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0564 2.9501 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4225 4.3162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2181 3.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6545 3.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7885 4.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3521 4.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 3.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 2.1200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4860 3.1200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5430 5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1611 5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 6.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3521 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8521 6.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3521 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4398 6.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9225 3.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7885 3.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 3.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9766 5.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 4.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4711 4.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7275 5.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9169 6.7754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2456 6.2878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4079 2.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0094 1.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 1.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 2.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0831 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0564 6.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1877 7.5343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1914 3.7601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 20 1 0 0 0 0 3 20 1 0 0 0 0 4 14 2 0 0 0 0 5 21 1 0 0 0 0 5 42 1 0 0 0 0 6 21 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 10 8 1 6 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 6 0 0 0 9 22 1 0 0 0 0 10 14 1 0 0 0 0 10 23 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 15 19 2 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 M END $$$$