0 mol 10 unq 0 iso 0 dist 9.03951 5.05805 8.00369 6.61479 5.59965 7.99067 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.99647 11.1377 8.70462 6.07735 7.5459 7.18398 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.3964 10.6642 4.90592 11.3328 6.72323 10.0715 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.3964 8.81498 9.36461 11.3328 6.72323 11.9395 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.98417 12.1122 9.5053 7.46244 6.56527 5.66783 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 9.98746 11.2391 7.03307 7.19218 7.48846 5.1728 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.66506 5.67493 6.48232 12.6525 8.87464 7.86177 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 9.18097 11.155 8.70863 5.25569 9.66222 8.31077 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 8.83135 15.3247 8.70863 16.1324 9.66222 8.31077 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 7.98039 5.09562 6.62972 9.83193 7.14031 8.53212 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 4.86767 8.16908 9.35942 6.72133 8.42878 10.5177 numMergedOcc 0
11 mol 114 unq 1 iso 0 dist 4.86767 9.20674 7.42482 6.72133 8.42878 8.66057 numMergedOcc 0
12 mol 116 unq 0 iso 0 dist 8.03113 6.39362 8.79367 13.3662 8.38606 12.2604 numMergedOcc 0
13 mol 116 unq 1 iso 0 dist 9.2638 8.61652 8.79367 10.4136 8.38606 12.2604 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 6.4751 12.6565 7.32555 5.72737 7.22518 9.8515 numMergedOcc 0
15 mol 171 unq 1 iso 0 dist 6.4751 12.6565 7.32555 6.4423 5.25109 9.54524 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 5.4455 10.3444 6.37788 4.44921 6.1886 8.43261 numMergedOcc 0
17 mol 194 unq 1 iso 0 dist 5.4455 14.1482 8.7028 4.44921 6.1886 13.8424 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 8.27761 5.68442 6.57921 8.33098 9.78181 7.86594 numMergedOcc 0
19 mol 232 unq 1 iso 0 dist 8.27761 5.68442 6.57921 17.7633 9.8664 13.8622 numMergedOcc 0
20 mol 232 unq 2 iso 0 dist 9.25162 4.127 8.28466 15.3266 9.8664 12.721 numMergedOcc 0
21 mol 247 unq 0 iso 0 dist 6.29945 8.87922 9.84493 5.44215 8.45756 12.4425 numMergedOcc 0
