BR2U7Q -OEChem-04022100432D 82 86 0 0 0 0 0 0 0999 V2000 7.9244 -1.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 0.4582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1527 -1.6941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.4153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5028 1.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1491 0.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4813 1.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 1.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 -0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 1.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8385 -0.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1276 0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5063 -1.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7955 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4848 -0.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 1.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 2.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 2.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 2.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 3.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8529 3.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 4.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1421 5.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9169 0.6154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3417 1.1281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0077 1.6107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2500 1.8583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2127 -0.4933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8059 0.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3613 2.1488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6037 2.3964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3532 0.0751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6873 -0.4075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4449 -0.6551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8359 2.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2426 1.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2916 -0.1197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4559 -0.8997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6540 1.0726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8964 1.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9800 -1.4837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7376 -1.7313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3424 -0.2913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1780 0.4886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0915 -0.8220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3525 1.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5169 0.7146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7593 -1.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9601 -2.2835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2575 -0.0789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6643 -0.6112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -2.2687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 -1.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6027 1.8978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9356 2.7695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -1.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -1.7679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1059 3.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4388 4.3093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -3.6105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7314 4.8120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3347 5.5939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5528 5.1972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.4205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 10 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 17 1 0 0 0 0 3 62 1 0 0 0 0 3 63 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 78 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 11 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 12 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 15 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 16 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 17 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 17 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 59 1 0 0 0 0 18 21 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 19 20 1 0 0 0 0 20 22 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 26 1 0 0 0 0 23 68 1 0 0 0 0 24 27 2 0 0 0 0 24 69 1 0 0 0 0 25 28 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 26 29 2 0 0 0 0 26 72 1 0 0 0 0 27 29 1 0 0 0 0 27 73 1 0 0 0 0 28 30 1 0 0 0 0 28 31 2 0 0 0 0 29 33 1 0 0 0 0 30 32 1 0 0 0 0 30 34 2 0 0 0 0 31 74 1 0 0 0 0 32 35 2 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 36 1 0 0 0 0 34 79 1 0 0 0 0 35 37 1 0 0 0 0 35 80 1 0 0 0 0 36 37 2 0 0 0 0 36 81 1 0 0 0 0 37 82 1 0 0 0 0 M END $$$$