B2DFA3 -OEChem-04022106353D 31 32 0 0 0 0 0 0 0999 V2000 -4.5000 1.4207 -0.1977 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4342 -2.5279 -0.4804 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9980 -1.1876 0.4572 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8509 -0.0301 0.2601 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9718 -0.1414 -0.7251 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1420 -0.7278 -0.4212 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9126 0.9281 0.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2523 0.2511 0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5073 0.3322 0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0045 -0.1032 1.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4949 -0.6528 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8629 1.6762 0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8381 -0.2940 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 0.0105 -2.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1565 -0.7018 0.9142 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1933 1.0500 -0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2057 2.0350 -0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8544 -1.3373 0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8116 1.6003 1.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8883 1.5508 -0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0611 -1.0189 0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 0.0484 2.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2027 -1.6957 0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1278 2.4752 0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 1.0726 -2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2945 -0.5509 -2.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5873 -0.3811 -2.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0059 -1.1201 1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4687 3.0858 -0.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5506 2.3894 -0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1446 -3.2041 -0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 30 1 0 0 0 0 2 18 1 0 0 0 0 2 31 1 0 0 0 0 3 18 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 6 15 2 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 15 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 12 17 2 0 0 0 0 12 24 1 0 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 17 29 1 0 0 0 0 M END $$$$