mirror of
https://github.com/RosettaCommons/foundry.git
synced 2026-06-04 13:24:22 +08:00
184 lines
7.9 KiB
Plaintext
184 lines
7.9 KiB
Plaintext
asd
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OpenBabel10022416543D
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86 91 0 0 1 0 0 0 0 0999 V2000
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0.0000 0.0000 0.0000 Ru 0 0 0 0 0 0 0 0 0 0 0 0
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1.9811 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.8984 0.0000 0.9976 N 0 3 0 0 0 4 0 0 0 0 0 0
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4.2283 -0.4311 0.5225 C 0 0 1 0 0 0 0 0 0 0 0 0
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4.1294 -0.1510 -0.9789 C 0 0 2 0 0 0 0 0 0 0 0 0
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2.6689 -0.1856 -1.1704 N 0 0 0 0 0 0 0 0 0 0 0 0
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4.5104 0.8502 -1.2196 H 0 0 0 0 0 0 0 0 0 0 0 0
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4.3148 -1.5116 0.6738 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.0926 0.0177 -2.4711 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.0551 1.3215 -3.0085 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4395 1.5092 -4.2457 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.8688 0.4467 -4.9577 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.9728 -0.8382 -4.4242 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.5980 -1.0817 -3.1942 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.3946 2.5134 -4.6607 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.5711 -1.6818 -4.9808 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.7839 -2.5051 -2.7336 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.6142 -2.9688 -3.2824 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.9963 -2.5662 -1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.8879 -3.0998 -2.9345 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.6908 2.4918 -2.3015 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.2457 3.4308 -2.6402 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.7660 2.5403 -2.5179 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.5630 2.4326 -1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.1546 0.6923 -6.2641 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0871 -0.2224 -6.8610 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.6644 1.4570 -6.8598 H 0 0 0 0 0 0 0 0 0 0 0 0
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-0.8688 1.0481 -6.0884 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.6482 0.2211 2.3858 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.4836 1.5443 2.8329 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.2054 1.7521 4.1866 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.0596 2.7690 4.5422 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.2790 -0.6127 4.6093 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.5615 -0.8708 3.2641 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.1903 -1.4511 5.2957 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.0965 0.6881 5.0892 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.7358 -2.2864 2.7757 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.3651 -2.9970 3.5199 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.7928 -2.5228 2.5978 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.1924 -2.4512 1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.4096 2.6945 1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.5155 2.7062 1.8725 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.4962 3.6544 2.4168 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.6520 2.6776 1.1976 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.8132 0.9407 6.5497 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.1857 1.8271 6.6864 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.7445 1.1113 7.1053 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.3095 0.0856 7.0112 H 0 0 0 0 0 0 0 0 0 0 0 0
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-0.3034 2.2463 -0.7911 Cl 0 0 0 0 0 0 0 0 0 0 0 0
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-0.0311 -2.4021 0.1684 Cl 0 0 0 0 0 0 0 0 0 0 0 0
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-0.3847 0.3239 1.7667 C 0 0 0 0 0 3 0 0 0 0 0 0
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0.3401 0.5495 2.5448 H 0 0 0 0 0 0 0 0 0 0 0 0
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-1.7569 0.2734 2.2121 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.7733 0.0216 1.2582 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.1105 -0.0598 1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.4360 0.1136 2.9889 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.4526 0.3669 3.9517 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.1198 0.4461 3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.3353 0.6371 4.2895 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.7295 0.4995 4.9924 H 0 0 0 0 0 0 0 0 0 0 0 0
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-5.4785 0.0501 3.2858 H 0 0 0 0 0 0 0 0 0 0 0 0
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-4.8949 -0.2514 0.9184 H 0 0 0 0 0 0 0 0 0 0 0 0
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-2.2963 -0.1404 -0.0112 O 0 0 0 0 0 0 0 0 0 0 0 0
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5.5671 -0.2126 2.2083 H 0 0 0 0 0 0 0 0 0 0 0 0
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5.1577 1.3111 1.4179 H 0 0 0 0 0 0 0 0 0 0 0 0
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6.6571 0.2637 0.4773 N 0 0 0 0 0 0 0 0 0 0 0 0
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5.3944 0.2611 1.2403 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.8286 1.1116 -0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0
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7.1294 -1.0762 -0.3820 S 0 0 0 0 0 0 0 0 0 0 0 0
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6.3097 -0.9086 -1.8483 N 0 0 0 0 0 0 0 0 0 0 0 0
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8.5424 -0.9362 -0.7279 O 0 0 0 0 0 0 0 0 0 0 0 0
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6.6677 -2.2360 0.3905 O 0 0 0 0 0 0 0 0 0 0 0 0
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4.5395 -1.0515 -2.8887 H 0 0 0 0 0 0 0 0 0 0 0 0
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4.6166 -2.1893 -1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0
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4.8612 -1.1705 -1.8517 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.8079 -1.4416 -2.5601 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.2077 -0.2475 -1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.9743 -0.9748 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0
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-2.3957 -0.8002 -2.3143 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.6290 -0.0874 -2.6345 H 0 0 0 0 0 0 0 0 0 0 0 0
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-1.9096 -1.7391 -2.0383 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.0669 -0.9839 -3.1595 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.8219 1.1126 -1.4561 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.5239 1.0169 -2.2909 H 0 0 0 0 0 0 0 0 0 0 0 0
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-4.3670 1.5131 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.0331 1.8184 -1.7297 H 0 0 0 0 0 0 0 0 0 0 0 0
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1 50 1 0 0 0 0
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1 51 1 0 0 0 0
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2 1 1 0 0 0 0
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2 3 2 0 0 0 0
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3 29 1 0 0 0 0
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4 8 1 1 0 0 0
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4 3 1 0 0 0 0
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4 67 1 0 0 0 0
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5 7 1 6 0 0 0
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5 4 1 0 0 0 0
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6 5 1 0 0 0 0
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6 2 1 0 0 0 0
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9 6 1 0 0 0 0
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10 9 2 0 0 0 0
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10 21 1 0 0 0 0
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11 10 1 0 0 0 0
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12 13 1 0 0 0 0
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12 11 2 0 0 0 0
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13 14 2 0 0 0 0
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14 17 1 0 0 0 0
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14 9 1 0 0 0 0
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15 11 1 0 0 0 0
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16 13 1 0 0 0 0
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17 19 1 0 0 0 0
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18 17 1 0 0 0 0
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20 17 1 0 0 0 0
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21 24 1 0 0 0 0
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22 21 1 0 0 0 0
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23 21 1 0 0 0 0
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25 28 1 0 0 0 0
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25 12 1 0 0 0 0
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26 25 1 0 0 0 0
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27 25 1 0 0 0 0
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29 30 2 0 0 0 0
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29 34 1 0 0 0 0
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30 31 1 0 0 0 0
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31 32 1 0 0 0 0
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31 36 2 0 0 0 0
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33 36 1 0 0 0 0
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33 35 1 0 0 0 0
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34 33 2 0 0 0 0
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36 45 1 0 0 0 0
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37 34 1 0 0 0 0
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37 38 1 0 0 0 0
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39 37 1 0 0 0 0
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40 37 1 0 0 0 0
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41 42 1 0 0 0 0
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42 43 1 0 0 0 0
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42 30 1 0 0 0 0
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44 42 1 0 0 0 0
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45 46 1 0 0 0 0
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45 48 1 0 0 0 0
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45 47 1 0 0 0 0
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49 1 1 0 0 0 0
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51 53 1 0 0 0 0
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51 52 1 0 0 0 0
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53 58 2 0 0 0 0
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54 55 2 0 0 0 0
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54 53 1 0 0 0 0
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55 56 1 0 0 0 0
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56 61 1 0 0 0 0
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56 57 2 0 0 0 0
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57 60 1 0 0 0 0
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58 57 1 0 0 0 0
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58 59 1 0 0 0 0
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62 55 1 0 0 0 0
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63 54 1 0 0 0 0
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63 1 1 0 0 0 0
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66 67 1 0 0 0 0
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67 65 1 0 0 0 0
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67 64 1 0 0 0 0
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68 66 1 0 0 0 0
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69 72 2 0 0 0 0
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69 66 1 0 0 0 0
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70 69 1 0 0 0 0
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71 69 2 0 0 0 0
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73 75 1 0 0 0 0
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75 70 1 0 0 0 0
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75 74 1 0 0 0 0
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75 5 1 0 0 0 0
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76 70 1 0 0 0 0
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77 78 1 0 0 0 0
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77 63 1 0 0 0 0
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79 81 1 0 0 0 0
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79 77 1 0 0 0 0
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80 79 1 0 0 0 0
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82 79 1 0 0 0 0
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83 77 1 0 0 0 0
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83 85 1 0 0 0 0
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84 83 1 0 0 0 0
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86 83 1 0 0 0 0
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M END
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$$$$
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