B1EGN4 -OEChem-04012119452D 54 57 0 1 0 0 0 0 0999 V2000 4.9428 -0.3661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7171 1.5954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0707 2.1335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8907 -2.8693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -2.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4279 0.4386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5306 -1.1751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4817 0.1339 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4817 -0.8661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5306 0.4429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4279 -1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0115 -0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9428 -0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2216 1.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7386 1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2216 -2.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2435 -2.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9344 -3.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5743 -1.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0277 2.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 -3.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5962 -1.7988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0062 2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 -2.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6741 2.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3169 3.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6526 2.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2954 3.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9632 3.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4825 0.7539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4828 -1.7161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9690 0.8813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1769 -1.7377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9653 -1.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4724 -0.7808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4724 0.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8113 1.5856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0300 1.9836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6320 1.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3493 -3.7459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7659 -1.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0072 3.1656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4139 2.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7647 -4.0827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1813 -1.3381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4815 1.4185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9028 4.1641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0667 1.7526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4880 4.4982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5699 3.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -3.7173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -4.4985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5897 -4.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 3 15 2 0 0 0 0 4 16 2 0 0 0 0 5 24 1 0 0 0 0 5 30 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 1 0 0 0 10 13 1 0 0 0 0 10 14 1 1 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 18 41 1 0 0 0 0 19 22 2 0 0 0 0 19 42 1 0 0 0 0 20 23 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 24 2 0 0 0 0 21 45 1 0 0 0 0 22 24 1 0 0 0 0 22 46 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 25 27 1 0 0 0 0 25 47 1 0 0 0 0 26 28 2 0 0 0 0 26 48 1 0 0 0 0 27 29 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 M END $$$$