0 mol 20 unq 0 iso 0 dist 4.90613 5.87364 4.539 7.89835 10.452 10.5097 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 4.90613 5.87364 4.539 9.94205 13.3417 12.7656 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 4.90613 5.87364 4.539 9.08453 12.4239 10.2902 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 9.97806 8.12171 9.61955 6.77987 3.9893 9.39212 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.32779 8.12171 4.89927 6.77987 5.15319 9.39212 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 7.52742 5.99046 8.25498 6.24296 8.175 11.0952 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 7.52742 5.99046 8.25498 6.83218 9.3414 12.5181 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 8.42914 4.86532 9.18905 6.64714 8.88262 10.6223 numMergedOcc 0
8 mol 91 unq 1 iso 0 dist 8.17327 4.86532 8.00102 6.64714 11.1951 10.6223 numMergedOcc 0
9 mol 91 unq 2 iso 0 dist 9.52936 5.45873 5.75219 8.72835 17.5103 12.99 numMergedOcc 0
10 mol 91 unq 3 iso 0 dist 9.52936 6.97995 12.8512 8.72835 17.5103 6.34042 numMergedOcc 0
11 mol 91 unq 4 iso 0 dist 9.52936 4.86532 11.1564 6.64714 10.5022 10.6223 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 5.27541 6.70158 6.45786 9.43355 8.99253 14.433 numMergedOcc 0
13 mol 93 unq 1 iso 0 dist 5.27541 6.70158 6.45786 5.64141 3.78587 9.54244 numMergedOcc 0
14 mol 93 unq 2 iso 0 dist 5.27541 6.70158 6.45786 5.46186 10.5386 9.86691 numMergedOcc 0
15 mol 93 unq 3 iso 0 dist 5.27541 7.29701 10.4036 9.43355 8.99253 14.9656 numMergedOcc 0
16 mol 93 unq 4 iso 0 dist 5.27541 7.29701 10.4036 5.64141 3.78587 11.5397 numMergedOcc 0
17 mol 93 unq 5 iso 0 dist 5.27541 7.29701 10.4036 5.46186 10.5386 5.43515 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 5.52744 7.77211 5.48326 9.22792 11.7817 8.65911 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 5.52744 7.77211 5.48326 7.85696 8.23538 5.48935 numMergedOcc 0
20 mol 186 unq 2 iso 0 dist 5.52744 7.77211 5.48326 5.00402 5.74741 3.87082 numMergedOcc 0
21 mol 186 unq 3 iso 0 dist 5.52744 7.77211 5.48326 6.17773 3.88002 5.94181 numMergedOcc 0
22 mol 196 unq 0 iso 0 dist 9.5972 7.5257 6.13004 9.03626 8.97805 7.91487 numMergedOcc 0
23 mol 196 unq 1 iso 0 dist 5.6789 7.5257 6.03908 9.03626 6.95386 7.91487 numMergedOcc 0
24 mol 196 unq 2 iso 0 dist 9.67795 6.23981 11.3347 4.48862 10.2981 5.40367 numMergedOcc 0
25 mol 196 unq 3 iso 0 dist 9.67795 5.92441 7.52498 4.48862 10.2981 6.70817 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 5.06731 8.58448 9.70716 9.98518 11.2805 11.1883 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 5.06731 8.58448 9.70716 9.98518 11.2805 11.1883 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 5.06731 8.58448 9.70716 9.98518 11.2805 11.1883 numMergedOcc 0
