B3AIB1 -OEChem-04012119052D 34 37 0 0 0 0 0 0 0999 V2000 4.6783 -1.2086 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 -1.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 -2.1601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4867 1.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2419 -1.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.4038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 0.0962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2310 1.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0357 -0.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2028 1.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7028 0.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7028 2.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7028 0.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7028 2.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2028 1.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0498 -0.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1014 0.1951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3928 2.6971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0128 -0.1088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0128 2.6971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8228 1.2941 0.0000 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 7 1 0 0 0 0 1 10 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 14 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 15 21 2 0 0 0 0 16 22 2 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 20 1 0 0 0 0 18 28 1 0 0 0 0 19 20 2 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 21 23 1 0 0 0 0 21 31 1 0 0 0 0 22 24 1 0 0 0 0 22 32 1 0 0 0 0 23 24 2 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 M END $$$$