B13IXO -OEChem-04022101532D 54 58 0 0 0 0 0 0 0999 V2000 7.1270 2.0336 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.7106 1.2288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 3.2234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.8221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 0.4241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7106 -2.2353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2106 -3.1013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 2.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7106 1.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7106 1.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2106 2.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2106 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7106 1.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2106 2.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2106 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2106 -1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7106 -2.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2106 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2106 -1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7106 -0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7106 -0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2106 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2106 -3.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 4.0209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 3.6834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 2.9297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 2.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 3.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.8488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 0.4188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.3912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9006 2.6318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9006 -0.1741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5206 2.6318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5206 -0.1741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2932 -2.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6029 -1.6247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4006 -2.7722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9006 -1.9062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3306 -0.5032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0906 -0.5032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5206 0.8998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6280 -3.3133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3182 -3.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5206 -3.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5206 -2.5644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 2 21 1 0 0 0 0 2 26 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 36 1 0 0 0 0 4 8 2 0 0 0 0 4 11 1 0 0 0 0 5 14 1 0 0 0 0 5 17 2 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 6 46 1 0 0 0 0 7 31 1 0 0 0 0 7 53 1 0 0 0 0 7 54 1 0 0 0 0 8 9 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 19 40 1 0 0 0 0 20 23 2 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 31 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 M END $$$$