D0C9TY -OEChem-10191522372D 42 46 0 1 0 0 0 0 0999 V2000 2.6955 1.1117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6199 3.4360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6291 1.4700 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3611 2.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1291 2.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3833 4.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1931 1.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2493 4.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 2.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2584 0.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7137 -0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7478 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9988 -1.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 -1.8898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2618 -1.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5305 -2.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8261 -3.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4974 -3.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0887 -4.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7600 -4.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0556 -4.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7767 2.9301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8584 2.8939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5813 2.0456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0786 4.8246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8404 3.9852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9810 1.1286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7844 1.5248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8310 4.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9861 5.3460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0432 2.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6639 3.2598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7402 0.3027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6968 1.1313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5995 -1.3012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8217 -2.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2266 -3.4064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9341 -2.6698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -4.9696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3594 -4.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2184 -5.3828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 1 0 0 0 1 13 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 13 1 0 0 0 0 3 16 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$