D06MPP -OEChem-10101305022D 84 88 0 1 0 0 0 0 0999 V2000 9.5397 -1.4752 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5702 -5.6946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9436 -4.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4985 -2.8360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0030 -0.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5045 0.6281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5075 2.3619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5135 5.8294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -1.9726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2972 -3.9393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 -0.2353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5864 -2.7826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5380 -2.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9866 -4.8899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5892 -1.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5702 -5.6946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2757 -3.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5380 -2.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8453 -3.4268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0403 -5.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9866 -6.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0403 -6.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5015 -1.1040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5015 -1.1022 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1743 -4.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1743 -6.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -1.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -5.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -6.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5045 0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5015 -1.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4985 -2.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0060 1.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5015 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4985 -2.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0090 3.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5105 4.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 3.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0120 4.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5105 4.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 4.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0150 6.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9738 -2.8785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5990 -4.7937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8423 -0.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0528 -0.8536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8519 -6.2469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5369 -3.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1580 -2.4780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 -1.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2554 -3.6174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0359 -4.0168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4353 -3.2362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8831 -3.4779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7355 -7.0662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5239 -6.8086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1215 -1.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8124 -0.5658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1743 -4.0746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1743 -7.3146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8802 -6.2315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 -2.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5822 -2.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7713 -4.8846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7713 -6.5046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 -0.2343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6230 -0.2399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8124 -0.5624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5317 1.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5304 1.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1924 -0.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1876 -3.3655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.9611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1305 4.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6981 2.6941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3229 5.4972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8905 4.0985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5514 6.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3259 7.2310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4786 7.0055 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 16 2 1 6 0 0 0 2 64 1 0 0 0 0 3 17 2 0 0 0 0 4 23 2 0 0 0 0 24 5 1 6 0 0 0 5 70 1 0 0 0 0 6 32 2 0 0 0 0 7 35 1 0 0 0 0 7 39 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 9 23 1 0 0 0 0 14 10 1 6 0 0 0 10 17 1 0 0 0 0 10 57 1 0 0 0 0 25 11 1 6 0 0 0 11 32 1 0 0 0 0 11 69 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 1 0 0 0 12 46 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 21 1 0 0 0 0 16 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 22 1 0 0 0 0 20 26 2 0 0 0 0 21 22 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 27 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 60 1 0 0 0 0 25 28 1 0 0 0 0 25 61 1 0 0 0 0 26 29 1 0 0 0 0 26 62 1 0 0 0 0 27 30 1 0 0 0 0 27 63 1 0 0 0 0 28 31 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 30 2 0 0 0 0 29 67 1 0 0 0 0 30 68 1 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 32 35 1 0 0 0 0 33 36 1 0 0 0 0 33 71 1 0 0 0 0 34 37 2 0 0 0 0 34 72 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 36 38 2 0 0 0 0 36 75 1 0 0 0 0 37 38 1 0 0 0 0 37 76 1 0 0 0 0 38 77 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 40 78 1 0 0 0 0 41 43 2 0 0 0 0 41 79 1 0 0 0 0 42 44 2 0 0 0 0 42 80 1 0 0 0 0 43 44 1 0 0 0 0 43 81 1 0 0 0 0 45 82 1 0 0 0 0 45 83 1 0 0 0 0 45 84 1 0 0 0 0 M END $$$$