B1NC2K -OEChem-04022106392D 56 59 0 0 0 0 0 0 0999 V2000 4.6783 -4.7007 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 1.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -3.0107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.3964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2171 -2.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 2.4056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1851 4.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 3.7686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.9345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 1.8676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 0.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 0.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 -0.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 -1.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 -0.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 -2.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5493 -1.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 2.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 -3.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8529 3.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1957 -2.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 -1.2393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 -0.3676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -2.3960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5069 1.1723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -3.8960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2963 -1.4437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3847 0.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8168 1.9954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.7060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4666 -0.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4665 -4.1691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3420 -4.2165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3894 -3.3409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3235 -2.9987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8023 -2.2642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0678 -1.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3777 4.8960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 23 1 0 0 0 0 2 17 2 0 0 0 0 3 28 1 0 0 0 0 3 34 1 0 0 0 0 4 22 2 0 0 0 0 5 30 1 0 0 0 0 5 36 1 0 0 0 0 6 33 2 0 0 0 0 7 35 1 0 0 0 0 7 56 1 0 0 0 0 8 35 2 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 9 39 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 10 46 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 16 2 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 24 2 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 15 23 2 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 18 26 2 0 0 0 0 19 25 2 0 0 0 0 19 27 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 40 1 0 0 0 0 23 41 1 0 0 0 0 24 29 1 0 0 0 0 24 42 1 0 0 0 0 25 28 1 0 0 0 0 25 43 1 0 0 0 0 26 31 1 0 0 0 0 26 44 1 0 0 0 0 27 32 2 0 0 0 0 27 45 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 30 32 1 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 33 35 1 0 0 0 0 34 50 1 0 0 0 0 34 51 1 0 0 0 0 34 52 1 0 0 0 0 36 53 1 0 0 0 0 36 54 1 0 0 0 0 36 55 1 0 0 0 0 M END $$$$