BSR3D5 -OEChem-04012115512D 29 31 0 1 0 0 0 0 0999 V2000 2.0000 -3.2884 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 1.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1288 3.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 0.2994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5108 3.0106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8198 2.0595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 1.2505 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5411 0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 2.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3198 3.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3198 4.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8444 1.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -0.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1075 0.5516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.4784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9398 4.5984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3198 5.2184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6998 4.5984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.5984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 7 1 0 0 0 0 3 15 1 0 0 0 0 4 18 1 0 0 0 0 4 29 1 0 0 0 0 5 10 2 0 0 0 0 6 11 1 0 0 0 0 6 15 2 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 17 2 0 0 0 0 14 24 1 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 M END $$$$