B1BIA9 -OEChem-04012117322D 37 40 0 0 0 0 0 0 0999 V2000 3.4030 2.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 -0.0727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.2320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 0.7321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 1.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7988 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 -2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2988 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7988 -2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.7429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.7429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 0.3397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -0.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4078 -0.6620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4078 2.1261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9888 -0.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9888 2.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6088 2.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6788 -1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1088 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4888 -3.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9188 -1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1088 -3.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 2 27 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 29 1 0 0 0 0 4 15 2 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 28 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 14 17 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 M END $$$$