BSI1E2 -OEChem-04022105312D 29 31 0 0 0 0 0 0 0999 V2000 2.0000 1.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -2.7627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -1.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -1.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 -0.5639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.2320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 -3.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6139 -1.9580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.7680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 2 22 1 0 0 0 0 3 8 2 0 0 0 0 3 15 1 0 0 0 0 4 18 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 9 13 2 0 0 0 0 9 19 1 0 0 0 0 10 15 2 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 16 2 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 M END $$$$