B8NE4J -OEChem-04022112383D 30 30 0 1 0 0 0 0 0999 V2000 -3.1866 1.3013 -0.0295 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -0.0563 -0.4713 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 -1.7637 0.7763 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6562 -0.4738 0.0999 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2957 -1.3435 -1.2874 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0190 -0.9561 0.0939 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4039 0.1850 0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9218 0.1044 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7759 -0.5561 0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2921 -0.4213 0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0101 0.0934 0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3494 1.5760 -0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0646 1.4843 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8849 2.2256 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2405 -0.6784 0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5315 -0.7209 -0.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6756 -1.8280 0.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6046 -1.4884 0.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7299 -1.6409 0.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7067 0.4281 0.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0627 -1.1982 0.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0891 -0.0765 1.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2167 2.2182 -0.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0108 2.0191 0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9283 3.3088 -0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0352 -2.0450 -1.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4720 -1.7908 -1.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2374 -0.1054 -1.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4451 -1.6959 -0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9002 -0.8326 0.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 15 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 9 11 2 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 M END $$$$