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1 mol 0 unq 0 iso 1 dist 8.13129 14.9294 9.99338 15.8251 9.14271 9.15528 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 9.99338 15.247 9.07223 9.15528 9.14271 12.6486 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 9.07223 15.247 9.99338 12.6486 9.14271 9.15528 numMergedOcc 0
4 mol 0 unq 1 iso 0 dist 8.13129 7.19817 9.07223 15.8251 9.14271 12.6486 numMergedOcc 0
5 mol 0 unq 1 iso 1 dist 9.07223 7.19817 8.13129 12.6486 9.14271 15.8251 numMergedOcc 0
6 mol 7 unq 0 iso 0 dist 7.5706 9.0379 6.28925 8.43473 6.04832 5.03847 numMergedOcc 0
7 mol 7 unq 0 iso 1 dist 6.28925 9.0379 7.5706 5.03847 6.04832 8.43473 numMergedOcc 0
8 mol 7 unq 1 iso 0 dist 7.5706 15.4949 8.70159 8.43473 6.04832 13.8829 numMergedOcc 0
9 mol 7 unq 1 iso 1 dist 8.70159 15.4949 7.5706 13.8829 6.04832 8.43473 numMergedOcc 0
10 mol 7 unq 1 iso 0 dist 6.28925 13.2247 8.70159 5.03847 6.04832 13.8829 numMergedOcc 0
11 mol 7 unq 1 iso 1 dist 8.70159 13.2247 6.28925 13.8829 6.04832 5.03847 numMergedOcc 0
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13 mol 9 unq 0 iso 1 dist 8.07369 5.06358 6.79837 10.0989 9.36902 5.60698 numMergedOcc 0
14 mol 15 unq 0 iso 0 dist 7.876 5.17568 8.63502 9.64147 7.38744 10.7474 numMergedOcc 0
15 mol 15 unq 0 iso 1 dist 8.63502 5.17568 7.876 10.7474 7.38744 9.64147 numMergedOcc 0
16 mol 15 unq 1 iso 0 dist 7.876 5.17568 8.63502 4.29582 9.41935 8.72342 numMergedOcc 0
17 mol 15 unq 1 iso 1 dist 8.63502 5.17568 7.876 8.72342 9.41935 4.29582 numMergedOcc 0
18 mol 30 unq 0 iso 0 dist 5.61656 5.03351 8.67487 6.10646 8.28062 5.89021 numMergedOcc 0
19 mol 30 unq 0 iso 1 dist 8.67487 5.03351 5.61656 5.89021 8.28062 6.10646 numMergedOcc 0
20 mol 30 unq 1 iso 0 dist 5.61656 5.03351 8.67487 7.0381 6.90201 5.85054 numMergedOcc 0
21 mol 30 unq 1 iso 1 dist 8.67487 5.03351 5.61656 5.85054 6.90201 7.0381 numMergedOcc 0
22 mol 30 unq 2 iso 0 dist 5.61656 5.34368 6.95343 6.10646 8.28062 10.7121 numMergedOcc 0
23 mol 30 unq 2 iso 1 dist 6.95343 5.34368 5.61656 10.7121 8.28062 6.10646 numMergedOcc 0
24 mol 30 unq 3 iso 0 dist 5.61656 5.34368 6.95343 7.0381 6.90201 4.94076 numMergedOcc 0
25 mol 30 unq 3 iso 1 dist 6.95343 5.34368 5.61656 4.94076 6.90201 7.0381 numMergedOcc 0
26 mol 30 unq 2 iso 0 dist 8.67487 6.89466 6.95343 5.89021 8.28062 10.7121 numMergedOcc 0
27 mol 30 unq 2 iso 1 dist 6.95343 6.89466 8.67487 10.7121 8.28062 5.89021 numMergedOcc 0
28 mol 30 unq 3 iso 0 dist 8.67487 6.89466 6.95343 5.85054 6.90201 4.94076 numMergedOcc 0
29 mol 30 unq 3 iso 1 dist 6.95343 6.89466 8.67487 4.94076 6.90201 5.85054 numMergedOcc 0
30 mol 54 unq 0 iso 0 dist 7.56581 5.08001 9.22021 6.4484 7.04671 9.96705 numMergedOcc 0
31 mol 54 unq 0 iso 1 dist 9.22021 5.08001 7.56581 9.96705 7.04671 6.4484 numMergedOcc 0
32 mol 92 unq 0 iso 0 dist 7.48658 9.35561 7.20279 8.70803 9.81484 7.52639 numMergedOcc 0
33 mol 92 unq 0 iso 1 dist 7.20279 9.35561 7.48658 7.52639 9.81484 8.70803 numMergedOcc 0
34 mol 92 unq 1 iso 0 dist 7.48658 9.35561 7.20279 9.52327 5.77527 7.34683 numMergedOcc 0
35 mol 92 unq 1 iso 1 dist 7.20279 9.35561 7.48658 7.34683 5.77527 9.52327 numMergedOcc 0
36 mol 92 unq 2 iso 0 dist 7.48658 9.35561 7.20279 13.093 7.313 5.96752 numMergedOcc 0
37 mol 92 unq 2 iso 1 dist 7.20279 9.35561 7.48658 5.96752 7.313 13.093 numMergedOcc 0
38 mol 100 unq 0 iso 0 dist 4.5985 10.8586 8.20656 6.12107 8.95014 12.5531 numMergedOcc 0
39 mol 100 unq 0 iso 1 dist 8.20656 10.8586 4.5985 12.5531 8.95014 6.12107 numMergedOcc 0
40 mol 100 unq 1 iso 0 dist 4.5985 10.8586 8.20656 5.42531 6.84692 8.4128 numMergedOcc 0
41 mol 100 unq 1 iso 1 dist 8.20656 10.8586 4.5985 8.4128 6.84692 5.42531 numMergedOcc 0
42 mol 100 unq 2 iso 0 dist 4.5985 10.8586 8.20656 4.86592 5.74152 7.96533 numMergedOcc 0
43 mol 100 unq 2 iso 1 dist 8.20656 10.8586 4.5985 7.96533 5.74152 4.86592 numMergedOcc 0
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45 mol 133 unq 0 iso 1 dist 4.51266 8.18495 9.64695 4.54648 6.49688 12.538 numMergedOcc 0
46 mol 157 unq 0 iso 0 dist 7.02823 12.4918 8.97404 8.11692 9.53818 7.24719 numMergedOcc 0
47 mol 157 unq 0 iso 1 dist 8.97404 12.4918 7.02823 7.24719 9.53818 8.11692 numMergedOcc 0
48 mol 157 unq 1 iso 0 dist 7.02823 12.4918 8.97404 6.38294 5.14587 8.0238 numMergedOcc 0
49 mol 157 unq 1 iso 1 dist 8.97404 12.4918 7.02823 8.0238 5.14587 6.38294 numMergedOcc 0
50 mol 157 unq 2 iso 0 dist 7.02823 12.4918 8.97404 6.74921 8.93257 15.6542 numMergedOcc 0
51 mol 157 unq 2 iso 1 dist 8.97404 12.4918 7.02823 15.6542 8.93257 6.74921 numMergedOcc 0
52 mol 157 unq 3 iso 0 dist 7.02823 12.4918 8.97404 8.09556 7.71842 6.41986 numMergedOcc 0
53 mol 157 unq 3 iso 1 dist 8.97404 12.4918 7.02823 6.41986 7.71842 8.09556 numMergedOcc 0
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55 mol 206 unq 0 iso 1 dist 5.52084 7.73294 4.90825 4.62682 5.80674 4.51687 numMergedOcc 0
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57 mol 225 unq 0 iso 1 dist 9.31373 12.0157 8.25629 8.32583 7.83637 13.052 numMergedOcc 0
58 mol 225 unq 1 iso 0 dist 8.25629 16.718 9.20561 13.052 7.83637 9.16289 numMergedOcc 0
59 mol 225 unq 1 iso 1 dist 9.20561 16.718 8.25629 9.16289 7.83637 13.052 numMergedOcc 0
60 mol 225 unq 2 iso 0 dist 8.25629 12.5593 9.88976 13.052 7.83637 16.6675 numMergedOcc 0
61 mol 225 unq 2 iso 1 dist 9.88976 12.5593 8.25629 16.6675 7.83637 13.052 numMergedOcc 0
62 mol 225 unq 1 iso 0 dist 9.31373 15.3446 9.20561 8.32583 7.83637 9.16289 numMergedOcc 0
63 mol 225 unq 1 iso 1 dist 9.20561 15.3446 9.31373 9.16289 7.83637 8.32583 numMergedOcc 0
64 mol 225 unq 2 iso 0 dist 9.31373 13.3965 9.88976 8.32583 7.83637 16.6675 numMergedOcc 0
65 mol 225 unq 2 iso 1 dist 9.88976 13.3965 9.31373 16.6675 7.83637 8.32583 numMergedOcc 0
66 mol 225 unq 2 iso 0 dist 9.20561 16.5576 9.88976 9.16289 7.83637 16.6675 numMergedOcc 0
67 mol 225 unq 2 iso 1 dist 9.88976 16.5576 9.20561 16.6675 7.83637 9.16289 numMergedOcc 0
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69 mol 230 unq 0 iso 1 dist 7.85632 5.46301 5.31963 6.47822 9.05585 5.0515 numMergedOcc 0
70 mol 234 unq 0 iso 0 dist 7.72403 5.88703 6.35438 13.8349 9.38888 10.0059 numMergedOcc 0
71 mol 234 unq 0 iso 1 dist 6.35438 5.88703 7.72403 10.0059 9.38888 13.8349 numMergedOcc 0
72 mol 234 unq 1 iso 0 dist 7.72403 15.2225 9.57132 13.8349 9.38888 5.08515 numMergedOcc 0
73 mol 234 unq 1 iso 1 dist 9.57132 15.2225 7.72403 5.08515 9.38888 13.8349 numMergedOcc 0
74 mol 234 unq 1 iso 0 dist 6.35438 10.2693 9.57132 10.0059 9.38888 5.08515 numMergedOcc 0
75 mol 234 unq 1 iso 1 dist 9.57132 10.2693 6.35438 5.08515 9.38888 10.0059 numMergedOcc 0
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77 mol 239 unq 0 iso 1 dist 8.10769 12.7454 5.45139 6.34419 6.85567 11.169 numMergedOcc 0
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79 mol 244 unq 0 iso 1 dist 5.29811 8.32749 7.27258 10.5501 7.34165 5.32505 numMergedOcc 0
80 mol 244 unq 1 iso 0 dist 7.27258 8.32749 5.29811 12.4021 6.61951 5.17744 numMergedOcc 0
81 mol 244 unq 1 iso 1 dist 5.29811 8.32749 7.27258 5.17744 6.61951 12.4021 numMergedOcc 0
82 mol 273 unq 0 iso 0 dist 6.70271 5.50577 6.08532 9.25493 8.25037 7.42724 numMergedOcc 0
83 mol 273 unq 0 iso 1 dist 6.08532 5.50577 6.70271 7.42724 8.25037 9.25493 numMergedOcc 0
