BM1K3J -OEChem-04022101402D 39 42 0 0 0 0 0 0 0999 V2000 4.6783 1.5692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.7442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6617 -1.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6559 -1.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9936 -0.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 3.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8567 -0.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2582 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2465 -2.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8487 -3.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8429 -3.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 0.4998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 1.0321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 0.5314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6643 -0.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2575 -1.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 2.3740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9267 0.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 3.7680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4217 -0.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6418 -2.6339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.9940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8628 -2.2841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5985 -3.9412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.1840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2090 -3.7663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 14 2 0 0 0 0 7 9 1 0 0 0 0 7 15 2 0 0 0 0 8 12 1 0 0 0 0 8 16 2 0 0 0 0 9 13 1 0 0 0 0 9 17 2 0 0 0 0 10 12 2 0 0 0 0 10 28 1 0 0 0 0 11 13 2 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 14 18 1 0 0 0 0 14 32 1 0 0 0 0 15 19 1 0 0 0 0 15 33 1 0 0 0 0 16 20 1 0 0 0 0 16 34 1 0 0 0 0 17 21 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$