B89JHM -OEChem-04022109423D 31 32 0 0 0 0 0 0 0999 V2000 -3.6407 2.3685 -0.5506 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5851 0.6291 -0.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3760 -0.9811 1.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7147 0.5534 -0.4433 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0843 2.0321 1.6484 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8161 -0.3137 -0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 0.3694 -0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0668 0.1716 0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6435 -1.6747 -0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1453 -0.5664 0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5734 1.1239 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1448 -0.7039 0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4185 0.0069 0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5181 -0.7475 0.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 0.9427 -0.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7216 -2.5504 -0.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9722 -2.0650 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2803 1.5879 0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 -0.1830 0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9623 1.4878 -0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6885 -2.0797 -0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4678 -1.1512 1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 1.8555 -1.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1247 -0.3382 0.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8662 -1.4780 1.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6116 1.5509 -1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5888 -3.6093 -0.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8118 -2.7467 0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7963 1.4062 2.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2246 3.0063 1.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5486 0.4930 -0.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 19 1 0 0 0 0 2 31 1 0 0 0 0 3 19 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 20 1 0 0 0 0 5 18 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 8 18 1 0 0 0 0 9 16 1 0 0 0 0 9 21 1 0 0 0 0 10 14 1 0 0 0 0 10 22 1 0 0 0 0 11 15 2 0 0 0 0 11 23 1 0 0 0 0 12 17 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 M END $$$$