B3NJD5 -OEChem-04012117582D 31 33 0 0 0 0 0 0 0999 V2000 3.0878 -3.1739 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 2.3649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 1.4139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 0.4868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 1.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 2.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 1.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5910 1.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0558 0.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5421 1.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0068 -0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9522 2.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4908 -0.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6848 -0.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 3.5384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 3.6755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 2.8095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4621 2.3804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5950 -0.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4908 -1.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6848 -1.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0028 1.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1357 -0.7888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 6 2 0 0 0 0 4 18 2 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 20 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 10 21 1 0 0 0 0 11 16 2 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 18 1 0 0 0 0 13 26 1 0 0 0 0 14 19 2 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 M END $$$$