B23PTQ -OEChem-04022115423D 31 33 0 1 0 0 0 0 0999 V2000 -2.5761 -3.4339 0.4199 I 0 0 0 0 0 0 0 0 0 0 0 0 -4.8634 -0.5552 0.2880 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2995 -0.7401 -1.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9129 1.8421 1.3615 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1114 1.5320 -0.2644 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0752 -0.2440 -0.2472 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1277 1.8350 -0.3878 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 1.7308 -0.1348 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4886 0.2475 -0.4515 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2076 0.5544 0.8582 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6620 0.3906 0.4644 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6029 -0.7884 -0.4986 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7494 -2.1350 0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0561 0.5050 -0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2828 -1.5557 -0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1603 -0.2895 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 -1.6143 0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4772 0.3455 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3948 2.3731 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4087 1.1215 -1.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9397 -0.1832 1.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3305 0.2524 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3504 -0.7079 -1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9692 -2.2885 0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7262 -2.2236 0.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6445 -2.9485 -0.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -2.3339 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4909 1.9944 2.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0340 1.3667 -0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3189 2.4296 -0.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 3.4661 -0.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 18 2 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 1 0 0 0 0 4 28 1 0 0 0 0 5 11 1 0 0 0 0 5 29 1 0 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 7 30 1 0 0 0 0 8 18 1 0 0 0 0 8 19 2 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 19 31 1 0 0 0 0 M END $$$$