0 mol 34 unq 0 iso 0 dist 7.87317 8.85016 9.52614 12.8358 9.45239 5.74823 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 7.77714 4.62339 8.96621 5.41436 8.94842 8.27973 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 7.77714 4.62339 8.96621 6.53592 9.9555 10.6228 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 6.46118 10.0767 8.96621 9.58119 8.94842 8.27973 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 6.46118 10.0767 8.96621 12.1293 9.9555 10.6228 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 7.76044 4.92836 7.07849 3.79852 8.77624 8.42847 numMergedOcc 0
6 mol 108 unq 0 iso 0 dist 8.49918 5.53449 7.84262 3.94147 5.60118 4.91593 numMergedOcc 0
7 mol 108 unq 1 iso 0 dist 8.49918 9.01058 9.29208 3.94147 5.60118 6.23415 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 7.1891 5.84646 7.24538 5.35918 9.24252 4.34447 numMergedOcc 0
9 mol 110 unq 1 iso 0 dist 7.67702 6.69022 7.24538 4.10689 9.24252 4.34447 numMergedOcc 0
10 mol 178 unq 0 iso 0 dist 8.83252 7.55512 5.71438 8.62728 9.26238 12.035 numMergedOcc 0
11 mol 178 unq 1 iso 0 dist 9.56963 5.24683 7.69328 10.5487 7.97 12.0486 numMergedOcc 0
12 mol 178 unq 2 iso 0 dist 9.56963 5.24683 7.69328 12.7394 6.95432 13.4282 numMergedOcc 0
13 mol 178 unq 3 iso 0 dist 9.56963 5.24683 7.69328 12.1851 9.32853 12.035 numMergedOcc 0
14 mol 178 unq 4 iso 0 dist 5.95885 7.55512 7.69328 5.33003 7.97 12.0486 numMergedOcc 0
15 mol 178 unq 5 iso 0 dist 5.95885 7.55512 7.69328 7.25161 6.95432 13.4282 numMergedOcc 0
16 mol 178 unq 6 iso 0 dist 5.95885 7.55512 7.69328 8.62728 9.32853 12.035 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.4588 9.55305 8.43722 5.44287 7.7734 5.32701 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 9.20848 4.12545 6.41452 16.8356 9.00657 14.0323 numMergedOcc 0
19 mol 256 unq 0 iso 0 dist 6.07677 3.87452 9.66498 4.80469 8.89351 4.01968 numMergedOcc 0
20 mol 256 unq 1 iso 0 dist 7.56605 5.96499 9.66498 4.07811 8.89351 4.01968 numMergedOcc 0
21 mol 257 unq 0 iso 0 dist 8.42116 13.3046 6.75578 3.84196 5.81865 11.9011 numMergedOcc 0
22 mol 257 unq 1 iso 0 dist 8.42116 15.9268 9.29499 3.84196 5.81865 13.924 numMergedOcc 0
23 mol 257 unq 2 iso 0 dist 8.53984 11.62 6.75578 5.95711 5.81865 11.9011 numMergedOcc 0
24 mol 257 unq 3 iso 0 dist 8.53984 13.4207 9.29499 5.95711 5.81865 13.924 numMergedOcc 0
25 mol 273 unq 0 iso 0 dist 6.98729 7.97745 7.70185 12.4627 9.45329 16.117 numMergedOcc 0
