D04QEO -OEChem-10101305022D 96100 0 1 0 0 0 0 0999 V2000 9.5397 -1.9070 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5075 1.9336 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5702 -6.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9436 -4.9091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0030 -0.6705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4985 -3.2677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5045 0.1964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 2.7988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -2.4043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2972 -4.3711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 -0.6670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5075 1.9302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5864 -3.2143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5380 -2.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9866 -5.3216 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5892 -1.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2757 -4.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5702 -6.1263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5380 -2.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8453 -3.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0403 -5.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9866 -6.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0403 -6.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -2.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5015 -1.5357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5015 -1.5339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1743 -5.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1743 -7.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -5.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -6.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5045 0.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0060 1.0650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5015 -1.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4985 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0060 1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5015 -1.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4985 -3.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0090 2.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5105 3.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5075 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0120 4.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5135 5.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 4.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0150 6.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5135 5.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0150 6.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5165 7.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9738 -3.3102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5990 -5.2254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8423 -1.0303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0528 -1.2854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8519 -6.6786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5369 -3.5287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1580 -2.9098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 -2.2887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2554 -4.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0359 -4.4485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4353 -3.6680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8831 -3.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7355 -7.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5239 -7.2403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1215 -1.5367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8124 -0.9975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1743 -4.5063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1743 -7.7463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 -3.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5822 -2.6122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8802 -6.6632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7713 -5.3163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 -0.6660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7713 -6.9363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6230 -0.6716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 1.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8124 -0.9941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4230 0.8557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1126 0.4560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1275 1.9291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1924 -0.9913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1876 -3.7972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.3928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 3.2629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9861 4.0599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5086 2.5553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 1.9364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5064 1.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1335 5.3932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7011 3.9944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8935 5.3988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7059 6.8004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0529 6.8154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8274 7.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9801 7.4372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 37 1 0 0 0 0 2 43 1 0 0 0 0 18 3 1 6 0 0 0 3 71 1 0 0 0 0 4 17 2 0 0 0 0 25 5 1 6 0 0 0 5 75 1 0 0 0 0 6 24 2 0 0 0 0 7 33 2 0 0 0 0 8 41 2 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 9 24 1 0 0 0 0 15 10 1 6 0 0 0 10 17 1 0 0 0 0 10 62 1 0 0 0 0 26 11 1 6 0 0 0 11 33 1 0 0 0 0 11 73 1 0 0 0 0 34 12 1 6 0 0 0 12 41 1 0 0 0 0 12 81 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 1 0 0 0 13 51 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 18 1 0 0 0 0 15 21 1 0 0 0 0 15 52 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 18 22 1 0 0 0 0 18 55 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 23 1 0 0 0 0 21 27 2 0 0 0 0 22 23 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 28 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 65 1 0 0 0 0 26 29 1 0 0 0 0 26 66 1 0 0 0 0 27 30 1 0 0 0 0 27 67 1 0 0 0 0 28 31 1 0 0 0 0 28 68 1 0 0 0 0 29 32 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 31 2 0 0 0 0 30 72 1 0 0 0 0 31 74 1 0 0 0 0 32 35 2 0 0 0 0 32 36 1 0 0 0 0 33 34 1 0 0 0 0 34 37 1 0 0 0 0 34 76 1 0 0 0 0 35 38 1 0 0 0 0 35 77 1 0 0 0 0 36 39 2 0 0 0 0 36 78 1 0 0 0 0 37 79 1 0 0 0 0 37 80 1 0 0 0 0 38 40 2 0 0 0 0 38 82 1 0 0 0 0 39 40 1 0 0 0 0 39 83 1 0 0 0 0 40 84 1 0 0 0 0 41 42 1 0 0 0 0 42 44 1 0 0 0 0 42 85 1 0 0 0 0 42 86 1 0 0 0 0 43 87 1 0 0 0 0 43 88 1 0 0 0 0 43 89 1 0 0 0 0 44 45 1 0 0 0 0 44 46 2 0 0 0 0 45 47 2 0 0 0 0 45 90 1 0 0 0 0 46 48 1 0 0 0 0 46 91 1 0 0 0 0 47 49 1 0 0 0 0 47 50 1 0 0 0 0 48 49 2 0 0 0 0 48 92 1 0 0 0 0 49 93 1 0 0 0 0 50 94 1 0 0 0 0 50 95 1 0 0 0 0 50 96 1 0 0 0 0 M END $$$$