EXO1431 -OEChem-04222009312D 38 40 0 0 0 0 0 0 0999 V2000 4.6783 -3.1865 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.5770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -2.3818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 0.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 2.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 1.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 3.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.9068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.9068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.2992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.9894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -2.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.4644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -3.8567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -3.8567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.0069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -2.9187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 1.1467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5069 2.6865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1739 1.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7994 3.1892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4027 3.9711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6208 3.5744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 13 2 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 12 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 16 19 2 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 M END $$$$