B3PG4M -OEChem-04022106592D 62 66 0 0 0 0 0 0 0999 V2000 18.0410 2.5630 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4401 -1.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5043 -3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8448 -0.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8448 2.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5410 3.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5410 1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3645 -2.1797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1750 3.0630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6325 -2.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 -1.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3699 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6676 -2.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5004 -2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1425 -0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3314 -2.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6196 -1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5865 -1.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4506 -0.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3147 -0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1788 0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0849 -0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1788 1.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9788 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9788 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0849 1.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8448 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7109 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5769 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7109 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5769 2.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4429 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3089 2.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4429 3.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3089 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9070 2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5539 -2.8013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9682 -1.0586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2072 -0.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0693 -2.6116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8303 -3.0471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7407 -0.3563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9797 0.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5442 -0.6818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1733 -3.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9309 -2.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7778 -0.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -1.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0798 -1.8434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 -1.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6431 1.3959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 2.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2478 -0.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0399 2.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4429 0.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4429 3.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8459 1.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1750 3.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5970 1.5260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4439 1.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2170 2.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 9 1 0 0 0 0 1 36 1 0 0 0 0 2 11 1 0 0 0 0 2 50 1 0 0 0 0 3 14 2 0 0 0 0 4 24 1 0 0 0 0 4 30 1 0 0 0 0 5 27 2 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 33 1 0 0 0 0 9 59 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 19 20 3 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 23 26 2 0 0 0 0 23 52 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 30 54 1 0 0 0 0 31 34 1 0 0 0 0 31 55 1 0 0 0 0 32 35 2 0 0 0 0 32 56 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 57 1 0 0 0 0 35 58 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 M END $$$$