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1 mol 8 unq 0 iso 0 dist 4.92734 7.35767 8.96553 6.57999 8.4069 9.62879 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 6.4754 7.06064 9.62879 11.9453 8.4069 8.96553 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 6.57999 7.35767 9.62879 4.92734 8.4069 8.96553 numMergedOcc 0
4 mol 14 unq 0 iso 0 dist 9.31271 10.3326 9.04767 13.6817 5.67201 9.7022 numMergedOcc 0
5 mol 14 unq 1 iso 0 dist 9.31271 10.3326 9.04767 13.1379 4.53725 9.58196 numMergedOcc 0
6 mol 15 unq 0 iso 0 dist 9.70735 9.40358 9.97507 15.2545 9.03536 8.38064 numMergedOcc 0
7 mol 16 unq 0 iso 0 dist 6.84569 5.46269 5.46498 9.59856 5.32694 7.63133 numMergedOcc 0
8 mol 16 unq 1 iso 0 dist 6.84569 5.46269 5.46498 10.5516 5.74188 8.71745 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 17.2959 10.0952 6.86014 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 9.22151 4.96681 7.57578 6.22122 4.33106 7.17969 numMergedOcc 0
11 mol 25 unq 1 iso 0 dist 6.22122 4.96681 7.17969 9.22151 4.33106 7.57578 numMergedOcc 0
12 mol 43 unq 0 iso 0 dist 9.17086 5.90113 8.80331 10.615 8.13395 6.20293 numMergedOcc 0
13 mol 52 unq 0 iso 0 dist 7.70026 13.9113 7.34143 16.3413 9.162 9.80098 numMergedOcc 0
14 mol 54 unq 0 iso 0 dist 6.54183 5.65405 8.10861 14.4402 16.3192 9.5589 numMergedOcc 0
15 mol 54 unq 1 iso 0 dist 6.54183 5.65405 8.10861 10.5929 14.2075 6.83299 numMergedOcc 0
16 mol 72 unq 0 iso 0 dist 6.68311 15.0607 9.96708 10.1663 8.24309 9.78528 numMergedOcc 0
17 mol 72 unq 1 iso 0 dist 6.7212 11.6369 9.96708 12.3223 10.7394 8.8178 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 10.1112 5.4148 9.96396 numMergedOcc 0
19 mol 73 unq 1 iso 0 dist 8.124 13.4367 6.19304 19.5696 13.3558 8.70481 numMergedOcc 0
20 mol 73 unq 2 iso 0 dist 8.16299 10.3774 8.70481 11.0108 14.9342 9.96396 numMergedOcc 0
21 mol 73 unq 3 iso 0 dist 8.16299 10.3774 8.70481 10.9082 13.3558 6.19304 numMergedOcc 0
22 mol 73 unq 4 iso 0 dist 8.27015 12.6626 8.70481 20.562 14.9342 9.96396 numMergedOcc 0
23 mol 73 unq 5 iso 0 dist 8.27015 12.6626 8.70481 17.327 13.3558 6.19304 numMergedOcc 0
24 mol 75 unq 0 iso 0 dist 8.2147 13.5815 7.79912 13.0332 5.64643 8.56639 numMergedOcc 0
25 mol 75 unq 1 iso 0 dist 8.2147 13.5815 7.79912 18.603 10.4899 8.59017 numMergedOcc 0
26 mol 85 unq 0 iso 0 dist 6.56728 11.609 7.47541 13.2962 6.9948 7.97049 numMergedOcc 0
27 mol 85 unq 1 iso 0 dist 6.56728 13.5384 7.66905 17.1838 10.7229 7.95579 numMergedOcc 0
28 mol 85 unq 2 iso 0 dist 6.56728 13.5384 7.66905 13.2962 6.9948 6.19965 numMergedOcc 0
29 mol 95 unq 0 iso 0 dist 9.72688 15.0368 9.01083 14.1203 5.53837 7.2658 numMergedOcc 0
30 mol 100 unq 0 iso 0 dist 8.92577 12.0555 7.47343 15.3021 8.8807 6.65086 numMergedOcc 0
31 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 18.6091 12.6515 6.56369 numMergedOcc 0
32 mol 100 unq 2 iso 0 dist 8.92577 12.0555 7.47343 19.8697 13.887 9.30209 numMergedOcc 0
33 mol 100 unq 3 iso 0 dist 9.56324 16.8752 7.47343 17.1897 8.8807 6.65086 numMergedOcc 0
34 mol 100 unq 4 iso 0 dist 9.56324 16.8752 7.47343 21.2171 12.6515 6.56369 numMergedOcc 0
35 mol 100 unq 5 iso 0 dist 9.56324 16.8752 7.47343 22.2677 13.887 9.30209 numMergedOcc 0
36 mol 100 unq 6 iso 0 dist 8.96916 5.92158 6.45675 5.70279 5.33144 7.47343 numMergedOcc 0
37 mol 100 unq 7 iso 0 dist 8.96916 5.92158 6.45675 9.71692 9.71151 8.86688 numMergedOcc 0
38 mol 100 unq 8 iso 0 dist 5.70279 5.92158 7.47343 8.96916 5.33144 6.45675 numMergedOcc 0
39 mol 100 unq 9 iso 0 dist 5.70279 5.92158 7.47343 9.71692 10.1407 8.86688 numMergedOcc 0
40 mol 100 unq 10 iso 0 dist 5.70279 5.85449 6.65086 11.3277 5.88134 9.60661 numMergedOcc 0
41 mol 100 unq 11 iso 0 dist 5.70279 7.68675 6.56369 11.3277 5.88134 9.35224 numMergedOcc 0
42 mol 109 unq 0 iso 0 dist 7.51061 5.29855 7.34473 11.8872 7 8.58044 numMergedOcc 0
43 mol 109 unq 1 iso 0 dist 7.51061 5.29855 7.34473 10.7963 8.40993 9.97763 numMergedOcc 0
44 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 12.9647 7.69052 5.83991 numMergedOcc 0
45 mol 115 unq 1 iso 0 dist 8.97043 5.19652 6.11741 12.9647 7.69052 7.88312 numMergedOcc 0
46 mol 115 unq 2 iso 0 dist 6.55511 6.00348 7.11972 12.6252 10.498 6.90986 numMergedOcc 0
47 mol 115 unq 3 iso 0 dist 8.46684 5.14332 6.90986 9.47822 10.498 7.11972 numMergedOcc 0
48 mol 117 unq 0 iso 0 dist 8.81172 5.34484 9.84395 11.6152 13.1058 7.90328 numMergedOcc 0
49 mol 117 unq 1 iso 0 dist 7.0318 5.21051 7.90328 11.0698 7.22206 7.83136 numMergedOcc 0
50 mol 117 unq 2 iso 0 dist 7.0318 5.21051 7.90328 10.5123 9.3584 7.0603 numMergedOcc 0
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52 mol 131 unq 1 iso 0 dist 9.33945 12.3624 8.40312 17.4482 10.7062 6.85062 numMergedOcc 0
53 mol 131 unq 2 iso 0 dist 8.99949 11.3502 6.85062 18.591 10.7062 8.40312 numMergedOcc 0
54 mol 131 unq 3 iso 0 dist 8.99949 11.3502 6.85062 15.0798 6.63273 7.12972 numMergedOcc 0
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58 mol 133 unq 3 iso 0 dist 8.43069 7.33132 6.82262 9.79004 5.61668 8.22656 numMergedOcc 0
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63 mol 134 unq 4 iso 0 dist 5.57904 6.50005 6.49416 12.3933 8.80819 8.94367 numMergedOcc 0
64 mol 134 unq 5 iso 0 dist 5.57904 6.50005 6.49416 7.27598 5.00817 6.37586 numMergedOcc 0
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66 mol 142 unq 1 iso 0 dist 7.15087 8.68855 9.2313 15.3413 11.1395 8.96657 numMergedOcc 0
67 mol 142 unq 2 iso 0 dist 7.15087 5.50176 5.31024 10.5719 5.50998 7.26382 numMergedOcc 0
68 mol 142 unq 3 iso 0 dist 9.14908 6.3846 5.31024 10.9228 5.32922 9.2313 numMergedOcc 0
69 mol 142 unq 4 iso 0 dist 9.14908 4.39297 7.26382 10.9228 5.32922 7.73169 numMergedOcc 0
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77 mol 156 unq 6 iso 0 dist 7.98018 4.68187 9.83699 11.8093 11.2719 8.94056 numMergedOcc 0
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100 mol 227 unq 5 iso 0 dist 7.71761 5.841 7.55216 12.9898 12.4689 7.22101 numMergedOcc 0
101 mol 227 unq 6 iso 0 dist 7.71761 5.841 7.55216 14.1659 12.9332 8.65997 numMergedOcc 0
102 mol 227 unq 7 iso 0 dist 7.71761 5.841 7.55216 9.8971 4.48529 7.56888 numMergedOcc 0
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118 mol 261 unq 1 iso 0 dist 9.95681 5.79827 8.02547 9.05762 5.51688 6.05727 numMergedOcc 0
119 mol 261 unq 2 iso 0 dist 8.17205 9.27298 8.43057 15.127 10.1239 7.73141 numMergedOcc 0
120 mol 261 unq 3 iso 0 dist 9.05762 5.79827 6.05727 9.95681 5.51688 8.02547 numMergedOcc 0
121 mol 261 unq 4 iso 0 dist 9.05762 5.79827 6.05727 10.8774 4.63549 8.43057 numMergedOcc 0
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123 mol 276 unq 0 iso 0 dist 8.79189 6.33662 6.87396 13.9936 6.88557 9.8993 numMergedOcc 0
