0 mol 26 unq 0 iso 0 dist 8.01238 10.1501 8.98417 13.0316 6.56527 7.46244 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.58319 5.28841 6.8073 16.5457 8.29857 13.8841 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 8.31952 4.99432 6.42242 16.2911 8.19993 13.5334 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 9.3341 10.1436 9.89804 14.1948 9.93096 9.83082 numMergedOcc 0
4 mol 65 unq 0 iso 0 dist 8.9161 6.17 8.54555 10.5461 5.94206 10.8649 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 7.42828 10.1359 6.93893 9.18905 8.66165 12.671 numMergedOcc 0
6 mol 91 unq 1 iso 0 dist 5.98441 11.3866 6.93893 8.00102 8.66165 12.671 numMergedOcc 0
7 mol 91 unq 2 iso 0 dist 5.45873 9.36488 6.93893 11.1564 8.66165 12.671 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 8.29506 6.83777 7.13064 4.41856 8.74378 8.41572 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 7.24843 10.4382 7.13064 4.39585 8.74378 8.41572 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 6.58492 6.83777 7.8962 4.41856 8.89417 8.41572 numMergedOcc 0
11 mol 93 unq 3 iso 0 dist 6.58492 6.83777 7.8962 5.93923 9.95255 5.74733 numMergedOcc 0
12 mol 93 unq 4 iso 0 dist 7.63783 10.4382 7.8962 4.39585 8.89417 8.41572 numMergedOcc 0
13 mol 93 unq 5 iso 0 dist 7.63783 10.4382 7.8962 12.2294 9.95255 5.74733 numMergedOcc 0
14 mol 128 unq 0 iso 0 dist 8.15593 7.28982 7.80938 5.41268 7.48321 5.21856 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 8.6938 10.6534 7.37823 9.81916 8.26288 8.7874 numMergedOcc 0
16 mol 192 unq 1 iso 0 dist 7.50854 11.2457 7.37823 6.8017 8.26288 8.7874 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 7.71806 12.1121 5.4455 12.1101 6.1886 4.44921 numMergedOcc 0
18 mol 244 unq 0 iso 0 dist 9.28249 14.9665 9.97458 15.877 7.95359 12.5433 numMergedOcc 0
19 mol 244 unq 1 iso 0 dist 9.28249 14.9665 9.97458 6.12937 6.22122 14.3743 numMergedOcc 0
20 mol 247 unq 0 iso 0 dist 8.46644 10.2114 6.29945 7.56352 8.45756 5.44215 numMergedOcc 0
21 mol 271 unq 0 iso 0 dist 6.70662 8.43547 5.75889 4.91325 5.92274 6.38496 numMergedOcc 0
22 mol 271 unq 1 iso 0 dist 6.70662 8.33152 7.03848 4.91325 5.92274 9.47905 numMergedOcc 0
23 mol 280 unq 0 iso 0 dist 9.33975 13.3704 7.42529 13.1036 6.73712 7.98547 numMergedOcc 0
24 mol 280 unq 1 iso 0 dist 9.33975 13.3704 7.42529 9.27897 9.35704 15.5627 numMergedOcc 0
25 mol 280 unq 2 iso 0 dist 9.33975 16.3083 9.38952 13.1036 6.73712 5.87081 numMergedOcc 0
26 mol 280 unq 3 iso 0 dist 9.33975 16.3083 9.38952 9.27897 9.35704 10.1012 numMergedOcc 0
27 mol 280 unq 4 iso 0 dist 7.18775 14.1092 7.42529 10.9171 6.73712 7.98547 numMergedOcc 0
28 mol 280 unq 5 iso 0 dist 7.18775 14.1092 7.42529 4.26671 9.35704 15.5627 numMergedOcc 0
29 mol 280 unq 6 iso 0 dist 7.18775 11.5286 9.38952 10.9171 6.73712 5.87081 numMergedOcc 0
30 mol 280 unq 7 iso 0 dist 7.18775 11.5286 9.38952 4.26671 9.35704 10.1012 numMergedOcc 0
