B0R4TM -OEChem-04012115432D 42 43 0 0 0 0 0 0 0999 V2000 5.4641 -1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 N 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 10.6603 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1603 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1603 1.8660 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 9.7942 -0.5000 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 0.5000 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 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -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 2.8660 0.5000 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 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6233 -0.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4703 -0.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6972 0.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6972 2.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8503 2.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6233 1.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 16 2 0 0 0 0 3 21 2 0 0 0 0 4 18 1 0 0 0 0 4 21 1 0 0 0 0 4 38 1 0 0 0 0 5 18 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 12 15 2 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$