BXD5M8 -OEChem-04022107362D 44 47 0 0 0 0 0 0 0999 V2000 5.4641 1.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -1.2844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 0.7849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.7706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 0.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7224 1.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5865 2.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9904 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8545 2.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -2.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4544 1.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9832 2.7608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1861 2.7578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4522 2.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8646 -0.3423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8521 2.8977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2644 0.4731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5926 -2.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2053 -2.9043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8325 -2.2915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1465 1.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9926 1.4798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7624 2.3258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 20 2 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 3 20 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 21 1 0 0 0 0 5 8 2 0 0 0 0 5 11 1 0 0 0 0 6 11 2 0 0 0 0 7 9 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 10 11 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 22 2 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 25 1 0 0 0 0 22 37 1 0 0 0 0 23 26 2 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 M END $$$$