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2 mol 7 unq 1 iso 0 dist 9.87885 13.2247 6.1206 12.3097 8.45544 4.74523 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 6.1206 13.2247 9.87885 4.74523 8.45544 12.3097 numMergedOcc 0
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5 mol 8 unq 0 iso 1 dist 9.01112 10.9495 6.56356 7.17012 8.83742 5.7531 numMergedOcc 0
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7 mol 8 unq 1 iso 1 dist 7.62333 8.09332 6.56356 6.31881 8.83742 5.7531 numMergedOcc 0
8 mol 8 unq 1 iso 0 dist 9.01112 6.23795 7.62333 7.17012 8.83742 6.31881 numMergedOcc 0
9 mol 8 unq 1 iso 1 dist 7.62333 6.23795 9.01112 6.31881 8.83742 7.17012 numMergedOcc 0
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19 mol 68 unq 0 iso 1 dist 7.39665 14.224 9.8703 15.0902 8.05514 8.53692 numMergedOcc 0
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25 mol 89 unq 1 iso 1 dist 7.47974 9.1532 8.40422 6.52312 6.65534 8.79802 numMergedOcc 0
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27 mol 89 unq 2 iso 1 dist 5.51831 6.50464 8.40422 6.60299 6.65534 8.79802 numMergedOcc 0
28 mol 89 unq 3 iso 0 dist 8.40422 6.54355 9.65149 8.79802 6.65534 6.30713 numMergedOcc 0
29 mol 89 unq 3 iso 1 dist 9.65149 6.54355 8.40422 6.30713 6.65534 8.79802 numMergedOcc 0
30 mol 89 unq 1 iso 0 dist 8.40425 4.8812 7.47974 5.88324 6.65534 6.52312 numMergedOcc 0
31 mol 89 unq 1 iso 1 dist 7.47974 4.8812 8.40425 6.52312 6.65534 5.88324 numMergedOcc 0
32 mol 89 unq 2 iso 0 dist 8.40425 8.46794 5.51831 5.88324 6.65534 6.60299 numMergedOcc 0
33 mol 89 unq 2 iso 1 dist 5.51831 8.46794 8.40425 6.60299 6.65534 5.88324 numMergedOcc 0
34 mol 89 unq 3 iso 0 dist 8.40425 7.1456 9.65149 5.88324 6.65534 6.30713 numMergedOcc 0
35 mol 89 unq 3 iso 1 dist 9.65149 7.1456 8.40425 6.30713 6.65534 5.88324 numMergedOcc 0
36 mol 89 unq 2 iso 0 dist 7.47974 10.4087 5.51831 6.52312 6.65534 6.60299 numMergedOcc 0
37 mol 89 unq 2 iso 1 dist 5.51831 10.4087 7.47974 6.60299 6.65534 6.52312 numMergedOcc 0
38 mol 89 unq 3 iso 0 dist 7.47974 10.8948 9.65149 6.52312 6.65534 6.30713 numMergedOcc 0
39 mol 89 unq 3 iso 1 dist 9.65149 10.8948 7.47974 6.30713 6.65534 6.52312 numMergedOcc 0
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41 mol 89 unq 3 iso 1 dist 9.65149 5.45013 5.51831 6.30713 6.65534 6.60299 numMergedOcc 0
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43 mol 98 unq 0 iso 1 dist 5.92242 9.51923 5.10496 13.4985 8.75597 7.32662 numMergedOcc 0
44 mol 98 unq 1 iso 0 dist 5.10496 9.51923 5.92242 12.3881 9.18457 7.89505 numMergedOcc 0
45 mol 98 unq 1 iso 1 dist 5.92242 9.51923 5.10496 7.89505 9.18457 12.3881 numMergedOcc 0
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47 mol 98 unq 2 iso 1 dist 5.2571 8.40073 5.10496 6.934 8.75597 7.32662 numMergedOcc 0
48 mol 98 unq 3 iso 0 dist 5.10496 8.40073 5.2571 12.3881 9.18457 13.1975 numMergedOcc 0
49 mol 98 unq 3 iso 1 dist 5.2571 8.40073 5.10496 13.1975 9.18457 12.3881 numMergedOcc 0
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51 mol 98 unq 4 iso 1 dist 8.7497 10.2427 5.10496 7.17433 8.75597 7.32662 numMergedOcc 0
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53 mol 98 unq 5 iso 1 dist 8.7497 10.2427 5.10496 15.9953 9.18457 12.3881 numMergedOcc 0
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55 mol 98 unq 6 iso 1 dist 7.54889 13.659 9.64383 13.9572 6.83746 8.76845 numMergedOcc 0
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57 mol 98 unq 7 iso 1 dist 7.54889 13.659 9.64383 13.1975 9.14707 11.7715 numMergedOcc 0
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59 mol 98 unq 8 iso 1 dist 7.78931 14.591 9.64383 14.5341 6.83746 8.76845 numMergedOcc 0
60 mol 98 unq 9 iso 0 dist 9.64383 14.591 7.78931 11.7715 9.14707 15.9953 numMergedOcc 0
61 mol 98 unq 9 iso 1 dist 7.78931 14.591 9.64383 15.9953 9.14707 11.7715 numMergedOcc 0
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63 mol 98 unq 2 iso 1 dist 5.2571 9.42358 5.92242 6.934 8.75597 13.4985 numMergedOcc 0
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65 mol 98 unq 3 iso 1 dist 5.2571 9.42358 5.92242 13.1975 9.18457 7.89505 numMergedOcc 0
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68 mol 98 unq 5 iso 0 dist 5.92242 13.9786 8.7497 7.89505 9.18457 15.9953 numMergedOcc 0
69 mol 98 unq 5 iso 1 dist 8.7497 13.9786 5.92242 15.9953 9.18457 7.89505 numMergedOcc 0
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161 mol 292 unq 1 iso 1 dist 9.10788 12.6861 7.30758 8.96137 9.84946 9.84292 numMergedOcc 0
