B95TYS -OEChem-04022101352D 38 40 0 1 0 0 0 0 0999 V2000 6.1509 2.5682 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1133 4.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7928 -1.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7174 -3.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9942 -3.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9213 1.2788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6279 3.4671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 2.7573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0814 1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8419 1.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6509 1.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1509 2.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4599 1.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6051 3.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7438 -0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4179 1.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6921 -0.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5348 0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7047 -1.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8054 -2.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8181 -4.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7992 3.3584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 1.8422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 1.1961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8624 0.6616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4085 4.0470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 3.6560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 3.2579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 2.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 -0.3667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9152 1.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1021 -0.0768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3231 -1.8899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8570 -1.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2012 -4.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8805 -4.8612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4350 -4.1819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 14 2 0 0 0 0 3 18 1 0 0 0 0 3 20 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 21 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 1 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 13 17 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 18 2 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M END $$$$