B53NJX -OEChem-04012112392D 29 30 0 0 0 0 0 0 0999 V2000 3.9595 2.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 2.0680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 1.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.2579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.4444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6405 -0.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -1.1713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -0.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.1713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9329 2.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 1.1372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 14 2 0 0 0 0 8 18 1 0 0 0 0 9 14 1 0 0 0 0 9 19 1 0 0 0 0 11 15 2 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 29 1 0 0 0 0 M END $$$$