DR2002 -OEChem-05042003193D 28 31 0 0 0 0 0 0 0999 V2000 -4.7491 -0.8497 -0.3675 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1508 0.3347 0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -0.0893 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1913 -0.6227 0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 1.7150 0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5093 -1.4697 0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2416 0.8681 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5243 -0.1871 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8669 -1.9860 0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 -2.4038 0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5851 2.6491 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9171 2.2314 -0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8019 2.1187 0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8521 -1.8733 -0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5744 0.4325 -0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8259 1.1737 0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8761 -0.9283 -0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6529 -1.1131 0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6205 -2.7675 0.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6788 -3.4709 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3722 3.7162 -0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7007 2.9859 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0626 3.1750 0.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1132 -2.9294 -0.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3913 1.1506 -0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8549 1.5242 0.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -1.2533 -0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5031 -2.0864 0.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 10 1 0 0 0 0 6 14 2 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 13 16 2 0 0 0 0 13 23 1 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 M END $$$$