0 mol 1 unq 0 iso 0 dist 9.40282 9.35554 13.3466 4.61559 6.4181 12.2079 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 3.68549 7.15015 5.5577 6.21952 6.88974 11.1688 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 3.68549 7.15015 5.5577 5.06613 5.5814 10.6133 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.90024 6.84521 5.06502 14.9559 8.38387 13.3732 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.90024 6.78532 6.45462 14.9559 8.38387 12.9363 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 8.27307 6.92837 8.99811 5.10938 5.47319 9.8809 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 6.92837 8.27307 8.99811 5.10938 9.8809 5.47319 numMergedOcc 0
7 mol 90 unq 0 iso 0 dist 7.96299 9.25901 9.36098 4.5896 7.75811 12.9467 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.96446 6.70686 5.04493 5.27016 8.4545 7.01176 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 6.70686 9.96446 5.04493 5.27016 7.01176 8.4545 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 8.49531 7.90775 14.3902 4.84407 8.69069 12.5791 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 7.4389 7.24527 4.98336 13.6781 8.3164 11.4135 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 7.42474 8.86938 14.5975 6.92638 7.53905 15.646 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.66715 9.00172 8.18495 13.3005 9.50322 5.82404 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 9.00172 8.66715 8.18495 13.3005 5.82404 9.50322 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 8.84656 4.68975 7.11631 18.3189 9.60411 15.734 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 8.84656 4.9155 5.00817 18.3189 9.60411 14.0674 numMergedOcc 0
17 mol 139 unq 0 iso 0 dist 5.11962 9.81432 4.94129 4.71927 6.34417 10.9937 numMergedOcc 0
18 mol 154 unq 0 iso 0 dist 6.44195 7.34207 9.41666 5.32921 9.93555 11.7242 numMergedOcc 0
19 mol 154 unq 1 iso 0 dist 7.34207 6.44195 9.41666 9.95968 6.23399 14.212 numMergedOcc 0
20 mol 167 unq 0 iso 0 dist 6.53913 7.9895 9.36756 4.88159 5.59806 10.5599 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 6.0639 6.91355 6.85436 4.40927 7.80299 10.1863 numMergedOcc 0
22 mol 196 unq 0 iso 0 dist 9.36732 9.79271 12.9389 5.01554 8.79558 12.9615 numMergedOcc 0
23 mol 196 unq 1 iso 0 dist 9.79271 9.36732 12.9389 9.31621 9.99314 15.8315 numMergedOcc 0
24 mol 197 unq 0 iso 0 dist 6.18446 9.96544 5.43601 10.0696 8.3337 13.2564 numMergedOcc 0
25 mol 206 unq 0 iso 0 dist 5.82039 6.22964 7.08143 8.60571 9.78438 10.1863 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 9.39537 8.97461 14.0328 6.43015 6.24928 11.3074 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 9.39537 8.89487 15.8898 6.43015 6.24928 14.244 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 7.151 8.53324 7.69449 12.4082 9.77689 17.2403 numMergedOcc 0
29 mol 277 unq 1 iso 0 dist 7.151 8.53324 7.69449 7.47195 8.51931 8.96343 numMergedOcc 0
30 mol 277 unq 2 iso 0 dist 7.151 7.23956 11.8268 12.4082 9.77689 19.3912 numMergedOcc 0
31 mol 277 unq 3 iso 0 dist 7.151 7.23956 11.8268 7.47195 8.51931 9.71491 numMergedOcc 0
32 mol 277 unq 4 iso 0 dist 8.53324 7.151 7.69449 7.47195 8.96343 8.51931 numMergedOcc 0
33 mol 277 unq 5 iso 0 dist 8.53324 7.23956 7.08227 7.47195 8.96343 9.71491 numMergedOcc 0
34 mol 277 unq 6 iso 0 dist 7.23956 7.151 11.8268 12.7088 9.29635 17.8158 numMergedOcc 0
35 mol 277 unq 7 iso 0 dist 7.23956 8.53324 7.08227 12.7088 9.29635 14.3464 numMergedOcc 0
36 mol 277 unq 8 iso 0 dist 8.33977 8.66941 7.69449 14.7999 9.77689 17.2403 numMergedOcc 0
37 mol 277 unq 9 iso 0 dist 8.33977 8.66941 7.69449 5.65499 8.51931 8.96343 numMergedOcc 0
38 mol 277 unq 10 iso 0 dist 8.66941 8.33977 7.69449 5.65499 8.96343 8.51931 numMergedOcc 0
