B9U6TP -OEChem-04022102152D 39 42 0 0 0 0 0 0 0999 V2000 5.2152 -2.4442 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 -3.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.1395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9423 0.9205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 -1.6395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 -0.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5259 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4721 0.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5259 1.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4764 1.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3196 2.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2207 2.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0640 3.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0145 3.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 -2.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -2.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.1646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.1646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -0.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -1.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -3.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -3.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3223 0.9205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9724 0.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1088 -1.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7303 2.8963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 1.8898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9361 3.9782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4759 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -3.1255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9188 -2.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -1.8855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 21 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 29 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 4 30 1 0 0 0 0 5 13 1 0 0 0 0 5 21 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 12 1 0 0 0 0 8 13 2 0 0 0 0 9 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 14 2 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$