BU5F4M -OEChem-04022106592D 58 62 0 0 0 0 0 0 0999 V2000 16.6360 2.5630 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0993 -3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4398 -0.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4398 2.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1360 3.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1360 1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9595 -2.1797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7699 3.0630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2275 -2.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9649 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2625 -2.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0954 -2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9264 -2.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2146 -1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1815 -1.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0456 -0.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9097 -0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7738 0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6798 -0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7738 1.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5738 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5738 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6798 1.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4398 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3058 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1719 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3058 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1719 2.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0379 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9039 2.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0379 3.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9039 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5020 2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7179 -1.8070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5632 -1.0586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8022 -0.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6643 -2.6116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4253 -3.0471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8372 -0.8857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4018 -1.6467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7683 -3.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 -2.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3728 -0.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6151 -1.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6748 -1.8434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6870 -1.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2380 1.3959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6870 2.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8428 -0.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6349 2.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0379 0.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0379 3.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4409 1.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7699 3.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1920 1.5260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0389 1.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8120 2.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 34 1 0 0 0 0 2 13 2 0 0 0 0 3 22 1 0 0 0 0 3 28 1 0 0 0 0 4 25 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 31 1 0 0 0 0 8 55 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 21 24 2 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 50 1 0 0 0 0 29 32 1 0 0 0 0 29 51 1 0 0 0 0 30 33 2 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 M END $$$$