B8NUC3 -OEChem-04022112213D 72 78 0 1 0 0 0 0 0999 V2000 3.9111 1.0552 -0.9164 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8882 1.1000 1.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9591 -2.0464 0.5622 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4114 1.2805 0.7035 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3997 -0.9623 -2.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4590 2.6626 0.5758 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2464 -1.9105 0.5107 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8397 5.5855 0.0677 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -6.7571 -0.1129 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5704 2.2831 -2.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8221 -0.9200 0.0145 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6957 0.8389 0.0274 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2233 -1.9024 -0.0122 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2326 0.4416 0.5809 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5795 0.6719 0.7163 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0697 0.2114 -0.1235 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7308 -0.0944 1.2318 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4384 0.3527 0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1194 -0.7101 1.0279 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9661 0.0963 0.0350 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7118 1.2004 0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1996 0.5138 -1.2306 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4549 2.2031 0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2006 -1.0266 0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0493 2.4579 0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0314 0.7711 0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1674 -1.4438 0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2678 -0.6010 0.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8711 -2.8821 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0926 -0.5925 -2.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5395 -3.1085 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3074 1.4583 0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3929 3.2453 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7005 -0.8251 0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3559 3.8121 0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9404 4.5625 0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 4.8437 0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7067 -4.0241 0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0745 -4.4026 -0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2079 0.7711 -0.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1629 -5.3100 0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2067 -5.4941 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0114 2.1872 -1.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6917 0.4075 -0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9331 -0.6245 -0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0948 -0.7711 1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6379 -0.7559 1.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -0.4688 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7531 1.3405 -1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5393 -0.2332 -3.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5767 -1.4817 -1.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2162 -1.8444 0.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4592 3.0689 -0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4041 4.0717 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2638 0.8506 2.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8466 -2.4297 0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0146 1.7490 0.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2487 5.8748 0.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7818 -3.9209 0.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1465 -4.5444 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9704 -0.1166 1.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7692 0.0446 -1.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3086 -1.6542 -3.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8277 -6.1696 0.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7345 5.2176 -0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9587 2.4422 -1.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4911 2.9352 -0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2177 1.0855 0.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1809 0.4510 -1.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6795 -6.7045 -0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4353 3.1971 -2.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7739 -1.1113 0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 22 1 0 0 0 0 2 17 1 0 0 0 0 2 55 1 0 0 0 0 3 19 1 0 0 0 0 3 56 1 0 0 0 0 4 20 1 0 0 0 0 4 57 1 0 0 0 0 5 30 1 0 0 0 0 5 63 1 0 0 0 0 6 32 2 0 0 0 0 7 34 2 0 0 0 0 8 36 1 0 0 0 0 8 65 1 0 0 0 0 9 42 1 0 0 0 0 9 70 1 0 0 0 0 10 43 1 0 0 0 0 10 71 1 0 0 0 0 11 44 1 0 0 0 0 11 72 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 31 1 0 0 0 0 13 52 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 34 1 0 0 0 0 15 40 1 0 0 0 0 15 61 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 19 1 0 0 0 0 17 46 1 0 0 0 0 18 21 1 0 0 0 0 18 24 2 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 21 25 1 0 0 0 0 21 26 2 0 0 0 0 22 30 1 0 0 0 0 22 49 1 0 0 0 0 23 25 2 0 0 0 0 23 33 1 0 0 0 0 24 27 1 0 0 0 0 25 35 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 34 1 0 0 0 0 29 31 2 0 0 0 0 29 38 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 39 1 0 0 0 0 33 36 2 0 0 0 0 33 53 1 0 0 0 0 35 37 2 0 0 0 0 35 54 1 0 0 0 0 36 37 1 0 0 0 0 37 58 1 0 0 0 0 38 41 2 0 0 0 0 38 59 1 0 0 0 0 39 42 2 0 0 0 0 39 60 1 0 0 0 0 40 43 1 0 0 0 0 40 44 1 0 0 0 0 40 62 1 0 0 0 0 41 42 1 0 0 0 0 41 64 1 0 0 0 0 43 66 1 0 0 0 0 43 67 1 0 0 0 0 44 68 1 0 0 0 0 44 69 1 0 0 0 0 M END $$$$