BVW7J6 -OEChem-04012117372D 44 46 0 0 0 0 0 0 0999 V2000 5.4641 -1.8170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -5.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -4.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7578 -5.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2212 -6.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1711 -6.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -5.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3038 -4.2064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -4.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -2.7093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -3.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 5.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 5.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 12 2 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 3 30 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 4 35 1 0 0 0 0 5 15 1 0 0 0 0 5 17 2 0 0 0 0 6 15 2 0 0 0 0 6 23 1 0 0 0 0 7 17 1 0 0 0 0 7 23 2 0 0 0 0 8 23 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 18 24 1 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$