BG81EI -OEChem-04022100302D 46 50 0 0 0 0 0 0 0999 V2000 8.0428 -1.7796 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1924 3.4237 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.8802 -0.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4244 -2.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5428 0.4110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7176 0.9290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3893 -2.0659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1598 -0.7511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1663 -0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5428 0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9438 -1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9193 -0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1568 -0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1418 -1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9288 -0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6963 -2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9258 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6940 -1.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7655 1.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5543 2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6022 2.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0246 0.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8613 1.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3916 -1.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0725 0.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0990 0.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1981 -3.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 3.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1014 0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4048 1.0154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2738 0.9696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2878 0.5575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5514 -2.6688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1769 1.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0136 2.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1556 -0.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9387 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6132 0.4525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7040 0.3875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2346 1.1281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4940 0.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7878 3.7749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5942 -3.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0578 -4.0276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8021 -3.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 22 1 0 0 0 0 2 29 1 0 0 0 0 3 18 1 0 0 0 0 3 27 1 0 0 0 0 4 19 1 0 0 0 0 4 28 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 32 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 6 35 1 0 0 0 0 7 15 2 0 0 0 0 7 25 1 0 0 0 0 8 16 1 0 0 0 0 8 25 2 0 0 0 0 9 24 1 0 0 0 0 9 29 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 17 2 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 18 1 0 0 0 0 14 33 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 23 26 2 0 0 0 0 23 37 1 0 0 0 0 24 26 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 43 1 0 0 0 0 M END $$$$