B8EV1F -OEChem-04012116072D 43 47 0 0 0 0 0 0 0999 V2000 9.8587 2.8225 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5873 1.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2024 0.1493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2860 -1.5214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2860 0.0881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9643 -1.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0983 -2.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 0.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7024 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6092 1.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7024 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2323 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2323 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0983 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9643 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0983 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0822 1.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8743 0.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8823 1.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9803 1.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7503 1.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6623 1.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3343 2.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8376 3.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5913 0.1891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 -0.3661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7478 1.7984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 1.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 2.1469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 2.2336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1198 -0.9287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8101 -1.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0934 -2.1107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 1.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4076 -0.0260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9779 2.4726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6352 -3.0267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5614 -3.0267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7888 0.8112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9506 2.0915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 3.5921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 26 1 0 0 0 0 2 12 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 4 35 1 0 0 0 0 5 13 2 0 0 0 0 5 14 1 0 0 0 0 6 17 1 0 0 0 0 6 18 2 0 0 0 0 7 18 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 19 22 2 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$