B2M9QI -OEChem-04012117272D 45 47 0 0 0 0 0 0 0999 V2000 8.6561 0.0794 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1963 3.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7786 2.8575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.5084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9651 1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2742 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9651 1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3774 1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7841 2.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -1.0335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -1.0335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -1.6984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8638 -0.1122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3296 1.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8634 2.1862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9467 1.3935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -3.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4485 4.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 15 1 0 0 0 0 2 20 1 0 0 0 0 2 42 1 0 0 0 0 3 14 2 0 0 0 0 4 25 1 0 0 0 0 4 43 1 0 0 0 0 5 27 1 0 0 0 0 5 44 1 0 0 0 0 6 28 1 0 0 0 0 6 45 1 0 0 0 0 7 28 2 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 2 0 0 0 0 10 18 2 0 0 0 0 11 17 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 15 19 2 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 24 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 25 1 0 0 0 0 21 26 2 0 0 0 0 21 36 1 0 0 0 0 22 28 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 M END $$$$