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1 mol 0 unq 1 iso 0 dist 9.6994 8.81979 5.63197 6.26831 6.34883 7.56754 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.15528 9.23213 10.4498 6.26831 9.19662 4.04089 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 7.15528 8.81979 5.52201 6.26831 9.19662 7.56754 numMergedOcc 0
4 mol 1 unq 0 iso 0 dist 9.00903 8.56884 9.01967 6.09918 7.94662 8.78328 numMergedOcc 0
5 mol 8 unq 0 iso 0 dist 8.96553 8.33604 8.27181 7.3915 7.43529 11.705 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 8.57077 6.85412 8.27962 9.78006 3.98483 7.98363 numMergedOcc 0
7 mol 9 unq 1 iso 0 dist 8.57077 6.33889 11.4878 9.78006 3.98483 10.4204 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 7.20519 8.78293 5.31524 6.92532 12.3486 15.1136 numMergedOcc 0
9 mol 19 unq 1 iso 0 dist 7.20519 8.23643 11.0832 6.92532 12.3486 6.87842 numMergedOcc 0
10 mol 19 unq 2 iso 0 dist 7.20519 7.82528 10.4988 6.92532 12.3486 6.34272 numMergedOcc 0
11 mol 19 unq 3 iso 0 dist 4.54938 8.78293 10.9543 6.92532 5.18512 15.1136 numMergedOcc 0
12 mol 19 unq 4 iso 0 dist 4.54938 8.23643 6.55187 6.92532 5.18512 6.87842 numMergedOcc 0
13 mol 19 unq 5 iso 0 dist 4.54938 7.82528 5.14627 6.92532 5.18512 6.34272 numMergedOcc 0
14 mol 19 unq 6 iso 0 dist 7.82074 8.73972 6.55187 6.36455 5.18512 6.87842 numMergedOcc 0
15 mol 19 unq 7 iso 0 dist 6.864 8.78293 11.4401 6.92532 9.47529 15.1136 numMergedOcc 0
16 mol 19 unq 8 iso 0 dist 6.864 8.23643 12.3093 6.92532 9.47529 6.87842 numMergedOcc 0
17 mol 19 unq 9 iso 0 dist 6.864 7.82528 4.69858 6.92532 9.47529 6.34272 numMergedOcc 0
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19 mol 25 unq 1 iso 0 dist 6.03987 7.685 10.3635 5.81959 8.4666 9.96732 numMergedOcc 0
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21 mol 26 unq 1 iso 0 dist 8.34347 9.16962 11.887 5.69955 10.6756 4.80984 numMergedOcc 0
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23 mol 45 unq 1 iso 0 dist 7.2846 6.34173 4.71384 9.44459 5.73693 5.94047 numMergedOcc 0
24 mol 45 unq 2 iso 0 dist 7.58835 6.34173 5.67689 9.44459 11.6164 5.94047 numMergedOcc 0
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26 mol 52 unq 1 iso 0 dist 7.34143 7.18176 4.5482 9.66501 12.277 8.75928 numMergedOcc 0
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28 mol 58 unq 1 iso 0 dist 6.64012 7.58407 5.11205 7.27383 6.37648 10.8775 numMergedOcc 0
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30 mol 70 unq 1 iso 0 dist 9.65964 9.93423 5.47516 6.54023 9.03317 11.7156 numMergedOcc 0
31 mol 70 unq 2 iso 0 dist 9.65964 9.34122 11.0952 6.54023 9.03317 4.95817 numMergedOcc 0
32 mol 73 unq 0 iso 0 dist 9.38498 8.70133 13.4082 7.04044 15.7304 11.2505 numMergedOcc 0
33 mol 73 unq 1 iso 0 dist 9.96396 8.70133 7.41074 7.04044 8.26458 11.2505 numMergedOcc 0
34 mol 73 unq 2 iso 0 dist 6.19304 4.65521 7.41074 8.73253 8.26458 11.2505 numMergedOcc 0
35 mol 73 unq 3 iso 0 dist 9.75218 8.70133 15.9882 7.04044 8.35241 11.2505 numMergedOcc 0
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37 mol 85 unq 1 iso 0 dist 6.19965 9.47876 11.6116 7.1589 5.08358 12.5072 numMergedOcc 0
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39 mol 92 unq 1 iso 0 dist 9.33898 8.36431 10.9701 6.49956 6.86728 4.36639 numMergedOcc 0
40 mol 92 unq 2 iso 0 dist 9.64443 8.36431 12.4284 6.61823 7.24315 10.4141 numMergedOcc 0
41 mol 92 unq 3 iso 0 dist 9.64443 8.36431 12.4284 6.49956 12.163 4.36639 numMergedOcc 0
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43 mol 100 unq 1 iso 0 dist 6.45675 8.72704 7.2495 7.12017 9.52882 6.00843 numMergedOcc 0
44 mol 100 unq 2 iso 0 dist 7.47343 8.72704 10.1589 9.00544 14.9392 14.6145 numMergedOcc 0
45 mol 100 unq 3 iso 0 dist 7.47343 8.72704 10.1589 7.12017 12.6602 6.00843 numMergedOcc 0
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47 mol 100 unq 5 iso 0 dist 8.86688 8.72704 15.9331 7.12017 14.8674 6.00843 numMergedOcc 0
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52 mol 115 unq 2 iso 0 dist 6.11741 6.99777 10.8292 5.74857 6.08806 6.03931 numMergedOcc 0
53 mol 115 unq 3 iso 0 dist 6.11741 9.14376 6.12943 5.74857 6.08806 5.99374 numMergedOcc 0
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55 mol 115 unq 5 iso 0 dist 7.88312 6.99777 11.7126 5.74857 7.21418 6.03931 numMergedOcc 0
56 mol 115 unq 6 iso 0 dist 7.88312 9.14376 4.62962 5.74857 7.21418 5.99374 numMergedOcc 0
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119 mol 234 unq 5 iso 0 dist 6.7625 9.5707 14.4106 7.5366 5.6819 16.5499 numMergedOcc 0
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133 mol 272 unq 2 iso 0 dist 9.97651 6.16449 4.72202 9.19033 10.26 6.56154 numMergedOcc 0
134 mol 272 unq 3 iso 0 dist 8.46116 9.09992 5.63139 9.19033 13.5034 11.8912 numMergedOcc 0
135 mol 272 unq 4 iso 0 dist 8.46116 6.16449 8.52877 9.19033 13.5034 6.56154 numMergedOcc 0
