B3U1LQ -OEChem-04012112333D 30 31 0 1 0 0 0 0 0999 V2000 3.6536 0.3026 -0.0428 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4088 0.6220 0.3568 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4256 -0.7987 -0.6013 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 1.6374 -0.6106 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 1.1039 -0.4617 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9539 0.3900 1.6370 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1334 -0.1024 0.2846 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1949 -1.2577 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7399 -0.8623 -0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3739 0.4950 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4288 1.5729 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5850 -0.4641 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9831 0.8444 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2549 -1.8486 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9661 -0.1448 -0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6025 -1.4896 -0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0518 0.1118 1.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4194 -1.6070 -1.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 -2.0971 0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4777 1.9933 0.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 2.3797 -0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4399 1.8431 -0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8908 -1.3499 0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7348 -0.6613 -1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2574 1.8964 -0.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0162 -2.9013 -0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3518 -2.2762 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3266 0.3694 0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5385 -0.3437 2.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0972 1.3206 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 2 12 1 0 0 0 0 2 28 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 22 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 16 27 1 0 0 0 0 M END $$$$