BB39EI -OEChem-04022118133D 29 29 0 0 0 0 0 0 0999 V2000 -0.0116 1.8198 -0.2794 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2798 1.9803 -1.6912 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3718 2.9705 0.5267 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6137 -1.6689 -0.2324 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8963 0.3695 0.8093 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 0.9952 0.4699 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3273 0.6494 -0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1367 0.6887 0.9983 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5238 -0.2843 -1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3874 -1.1829 0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7327 -0.3007 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1747 -0.2348 1.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5621 -1.2077 -1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4977 -2.1700 0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1960 -0.4558 0.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9977 -1.9682 -0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 1.1436 1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9823 1.4131 1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8901 -0.3224 -2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1812 -1.1042 0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5978 -0.3452 -1.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8088 -0.2078 2.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7163 -1.9433 -1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1414 -3.0701 0.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3338 -1.7508 0.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 -2.4555 -0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2232 -1.9884 1.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6256 -1.2343 -0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1986 -2.9575 -0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 15 2 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 9 13 2 0 0 0 0 9 19 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 M END $$$$