B1R5NQ -OEChem-04022112413D 29 28 0 1 0 0 0 0 0999 V2000 -0.2110 0.4628 0.3539 S 0 0 1 0 0 0 0 0 0 0 0 0 -0.1521 1.2158 1.6448 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6785 -1.7919 0.9427 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8529 -1.4724 -0.9781 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1804 1.1615 -0.2106 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6672 -0.3352 -0.3948 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4489 -1.8901 0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7518 0.9630 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9866 0.4504 0.2525 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8914 1.2880 -0.8173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3499 1.0943 -0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2293 -1.0193 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8784 -0.6454 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8069 0.5185 0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7156 0.5808 -1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7502 2.0585 -0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9076 0.6050 1.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7014 0.8646 -1.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 2.3550 -0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5057 1.5734 0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9398 1.6100 -1.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0701 2.1607 -0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9875 0.8697 0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4811 1.0950 1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8087 0.1442 0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9263 1.1578 -0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8351 -2.7470 0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4215 -2.0170 0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9028 -2.7299 -0.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 3 12 1 0 0 0 0 3 27 1 0 0 0 0 4 12 2 0 0 0 0 5 9 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 11 1 0 0 0 0 6 13 2 0 0 0 0 7 13 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 13 14 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 M END $$$$