D06IVU -OEChem-10101305032D 28 29 0 0 0 0 0 0 0999 V2000 5.5116 1.0353 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 2.4365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 2.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 3.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.6657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 1.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6539 3.3058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3397 4.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 3.8102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 2 7 2 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 21 1 0 0 0 0 4 10 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 8 12 1 0 0 0 0 8 19 1 0 0 0 0 9 13 2 0 0 0 0 9 20 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 M END $$$$