D0ST1M -OEChem-10191521482D 42 44 0 0 0 0 0 0 0999 V2000 5.1408 -2.0380 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7672 1.2644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4162 0.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8165 -2.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7290 -2.9574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7204 -1.2254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4294 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4032 -0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 -2.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1881 -0.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4144 -2.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1931 -1.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1328 -0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7204 -1.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4387 0.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2247 -2.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0731 2.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2247 -2.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4016 2.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8085 -1.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7610 -1.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7660 -2.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4263 0.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8242 -0.2109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5133 -0.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5172 -1.6379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8860 0.2705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1314 0.4388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8346 -2.2887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4415 -2.7677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1482 -2.9253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 -2.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0277 -0.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6215 1.9272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4532 2.7063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8610 3.3738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9852 3.4168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9422 2.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6139 -0.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2608 -1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2694 -2.9382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 16 1 0 0 0 0 2 18 1 0 0 0 0 3 16 2 0 0 0 0 4 19 1 0 0 0 0 4 23 1 0 0 0 0 5 17 2 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$