0 mol 26 unq 0 iso 0 dist 9.97991 5.21951 6.38243 13.7115 5.30734 9.12845 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 9.48391 15.0868 8.05514 17.8169 8.53692 9.8703 numMergedOcc 0
2 mol 68 unq 1 iso 0 dist 9.48391 15.0868 8.05514 22.052 15.0902 7.39665 numMergedOcc 0
3 mol 74 unq 0 iso 0 dist 9.60205 11.588 6.3567 14.0363 4.79817 7.93281 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 5.89661 8.75661 5.71763 12.9591 9.57225 9.22631 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 8.70888 10.3972 6.83746 11.1321 8.76845 9.64383 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 8.70888 10.3972 6.83746 17.1242 13.9572 7.54889 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 8.70888 10.3972 6.83746 15.0657 14.5341 7.78931 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 9.60416 15.4506 8.75597 12.9146 7.32662 5.10496 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 9.60416 15.4506 8.75597 17.6559 13.4985 5.92242 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 9.60416 15.4506 8.75597 14.9393 6.934 5.2571 numMergedOcc 0
11 mol 98 unq 6 iso 0 dist 9.60416 15.4506 8.75597 16.6164 7.17433 8.7497 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 7.20629 12.6962 9.57341 17.5132 13.52 8.95212 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 7.20629 12.6962 9.57341 11.5266 4.99056 6.99446 numMergedOcc 0
14 mol 119 unq 2 iso 0 dist 7.20629 12.6962 9.57341 8.62648 3.78311 7.64052 numMergedOcc 0
15 mol 130 unq 0 iso 0 dist 7.67321 11.6 8.24966 11.7417 4.28797 9.98797 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 7.27943 8.3084 6.09987 11.6015 5.81236 6.41689 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 7.27943 8.3084 6.09987 13.7434 6.8161 9.07758 numMergedOcc 0
18 mol 170 unq 0 iso 0 dist 5.59924 5.37396 5.13268 10.867 5.95519 9.08274 numMergedOcc 0
19 mol 170 unq 1 iso 0 dist 5.59924 5.37396 5.13268 12.4653 7.72147 9.51256 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 7.11989 11.0888 7.97027 13.0107 6.42798 6.74196 numMergedOcc 0
21 mol 222 unq 1 iso 0 dist 7.11989 6.80198 4.9876 13.0107 6.42798 8.36842 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 9.42463 16.704 9.57955 24.3132 17.0241 8.1945 numMergedOcc 0
23 mol 225 unq 1 iso 0 dist 9.42463 16.704 9.57955 15.9897 10.6484 6.50998 numMergedOcc 0
24 mol 225 unq 2 iso 0 dist 9.42463 10.6864 8.79277 15.9897 10.6484 9.09424 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 9.62121 14.0336 6.53286 11.6421 11.0349 9.12776 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 9.62121 14.0336 6.53286 15.8185 10.7551 9.72188 numMergedOcc 0
27 mol 264 unq 0 iso 0 dist 9.54836 8.52745 6.02757 15.2039 6.84156 9.19754 numMergedOcc 0
28 mol 264 unq 1 iso 0 dist 9.54836 8.52745 6.02757 15.562 9.37297 8.29262 numMergedOcc 0
29 mol 279 unq 0 iso 0 dist 5.65882 5.03816 5.81528 8.68797 6.15987 6.35028 numMergedOcc 0
