B1AGR4 -OEChem-04012118062D 46 48 0 0 0 0 0 0 0999 V2000 13.7583 -0.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.7583 1.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 29 1 0 0 0 0 3 29 1 0 0 0 0 4 16 1 0 0 0 0 4 18 1 0 0 0 0 5 19 1 0 0 0 0 5 24 1 0 0 0 0 6 16 2 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 8 24 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 12 17 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 2 0 0 0 0 15 38 1 0 0 0 0 17 39 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 21 23 2 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$