0 mol 28 unq 0 iso 0 dist 5.98169 7.98722 8.66738 6.62508 11.4558 7.2551 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 8.00338 4.80937 6.80828 10.142 3.44035 7.68854 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 7.52145 14.6586 8.70331 12.8343 5.33785 7.29783 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 8.35776 5.87258 8.70331 9.16481 5.33785 7.29783 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 5.61831 8.53213 5.91098 5.65006 3.35924 6.97936 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 5.61831 5.28721 4.86523 5.65006 3.35924 5.00466 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 7.61514 15.3673 9.43839 20.8161 14.4719 8.52436 numMergedOcc 0
7 mol 107 unq 0 iso 0 dist 4.99934 11.7698 7.2168 8.2411 5.88785 9.68222 numMergedOcc 0
8 mol 107 unq 1 iso 0 dist 4.99934 11.7698 7.2168 12.9406 8.55732 8.28321 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 7.71959 6.30491 6.68265 9.77567 5.12696 9.17216 numMergedOcc 0
10 mol 152 unq 1 iso 0 dist 7.71959 6.30491 6.68265 12.0236 6.04238 9.44172 numMergedOcc 0
11 mol 152 unq 2 iso 0 dist 7.71959 4.48776 7.78842 9.77567 5.12696 9.40483 numMergedOcc 0
12 mol 182 unq 0 iso 0 dist 8.10542 7.44165 6.55146 10.285 3.53123 5.61604 numMergedOcc 0
13 mol 182 unq 1 iso 0 dist 6.78641 6.72963 6.55146 6.39008 3.53123 5.61604 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 7.82717 8.15466 6.97766 10.2573 4.79079 6.49577 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 8.19926 8.15466 4.79423 10.2573 3.60793 6.49577 numMergedOcc 0
16 mol 193 unq 0 iso 0 dist 9.28442 16.2737 9.13587 17.9689 9.3899 8.44337 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 6.15671 5.61312 7.78392 11.9563 16.3069 8.94981 numMergedOcc 0
18 mol 225 unq 1 iso 0 dist 6.15671 5.61312 7.78392 11.0376 12.113 5.90986 numMergedOcc 0
19 mol 225 unq 2 iso 0 dist 6.15671 5.61312 7.78392 4.58113 5.31124 7.50697 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 7.36685 5.66268 6.83784 6.61768 3.14784 7.97711 numMergedOcc 0
21 mol 266 unq 1 iso 0 dist 9.20906 9.32644 6.38519 14.2324 5.95721 7.97711 numMergedOcc 0
22 mol 266 unq 2 iso 0 dist 9.03099 5.66268 6.38519 6.61768 5.95721 7.97711 numMergedOcc 0
