B0XKW1 -OEChem-04022103282D 42 45 0 0 0 0 0 0 0999 V2000 7.1270 0.7194 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.7106 -1.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7106 -1.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2106 -0.9514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 -0.8901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7106 -0.0854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.9091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.5079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.1171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7106 -1.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7106 -1.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7106 -0.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2106 -0.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2106 -2.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2106 -0.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2106 -0.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2106 -2.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7106 -1.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2106 -2.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1280 -2.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8182 -2.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.5346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.7054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -0.8954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5206 -0.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9006 -0.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9006 -3.2204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0206 0.4516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5206 -0.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5206 -3.2204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 2.6834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6736 -2.9934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5206 -3.2204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7475 -2.3734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 18 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 22 2 0 0 0 0 4 13 1 0 0 0 0 4 22 1 0 0 0 0 4 33 1 0 0 0 0 5 12 1 0 0 0 0 5 18 2 0 0 0 0 6 18 1 0 0 0 0 6 22 1 0 0 0 0 6 36 1 0 0 0 0 7 9 1 0 0 0 0 7 23 2 0 0 0 0 8 10 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 15 23 1 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 19 32 1 0 0 0 0 20 24 1 0 0 0 0 20 34 1 0 0 0 0 21 25 2 0 0 0 0 21 35 1 0 0 0 0 24 26 2 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 M END $$$$