B9JAU1 -OEChem-04022103042D 43 46 0 1 0 0 0 0 0999 V2000 2.5405 -0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5247 -2.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2986 3.3088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5247 2.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0427 -0.7604 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1767 -1.2604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3107 -0.7604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1928 -2.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4007 -1.2672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6606 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3107 0.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0427 0.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 -2.3088 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2947 -2.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1767 0.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4007 0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1928 1.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 1.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2947 2.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5208 -3.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1665 3.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4406 -1.6854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0468 -0.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8608 -1.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1595 -1.9070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0913 -1.0927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0334 -3.0113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7584 -2.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6533 0.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2548 0.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3914 -2.9288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2971 -3.4497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8674 0.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7332 2.0849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9008 -3.8031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5184 -4.4255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1408 -3.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5223 2.9047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4744 3.2674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7046 4.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8586 4.3436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 1 0 0 0 1 36 1 0 0 0 0 14 2 1 6 0 0 0 2 21 1 0 0 0 0 3 20 1 0 0 0 0 3 22 1 0 0 0 0 4 19 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 1 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 24 1 6 0 0 0 8 11 1 0 0 0 0 8 15 2 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 16 1 0 0 0 0 12 17 2 0 0 0 0 13 16 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 M END $$$$