0 mol 14 unq 0 iso 0 dist 9.24546 10.495 7.59564 12.0934 4.75873 6.30573 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 7.79091 10.495 8.10957 12.0934 6.03847 6.30573 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 7.96836 5.21083 7.34681 8.48453 13.5023 6.53817 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 7.96836 5.21083 7.34681 8.80499 15.703 9.81769 numMergedOcc 0
4 mol 42 unq 0 iso 0 dist 9.50568 10.2834 5.52834 7.06199 4.38082 8.52254 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 7.05327 6.64431 5.06188 11.4028 4.6365 8.89758 numMergedOcc 0
6 mol 53 unq 0 iso 0 dist 6.86092 4.79821 6.70095 11.2478 7.7232 8.94173 numMergedOcc 0
7 mol 87 unq 0 iso 0 dist 9.99609 12.809 9.90256 10.8702 5.30415 5.26938 numMergedOcc 0
8 mol 87 unq 1 iso 0 dist 9.99609 12.809 9.90256 11.794 11.2095 8.91602 numMergedOcc 0
9 mol 87 unq 2 iso 0 dist 9.99609 8.37496 7.57471 10.8702 5.30415 6.8014 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 9.93751 11.4776 9.42014 7.65229 6.29923 5.81552 numMergedOcc 0
11 mol 132 unq 0 iso 0 dist 8.58873 8.84157 6.94745 9.0339 5.28089 6.495 numMergedOcc 0
12 mol 132 unq 1 iso 0 dist 8.58873 8.84157 6.94745 8.48641 4.50065 9.43748 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 9.13917 4.61198 8.8353 14.2709 16.1558 9.89098 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 6.29879 11.1722 8.76088 12.8081 8.99025 8.96061 numMergedOcc 0
15 mol 159 unq 0 iso 0 dist 9.5915 9.65752 9.9368 12.399 7.18851 8.55431 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 6.26373 4.72853 7.20545 4.93984 4.70374 8.58946 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 7.21606 13.2658 9.40718 6.96824 5.32364 9.63295 numMergedOcc 0
18 mol 212 unq 0 iso 0 dist 8.31372 4.71691 6.36102 10.4168 4.06334 7.3529 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 7.58632 4.66603 7.82201 11.0461 17.1162 9.40003 numMergedOcc 0
20 mol 214 unq 1 iso 0 dist 7.58632 5.53796 5.86911 13.4764 13.1789 9.4835 numMergedOcc 0
21 mol 236 unq 0 iso 0 dist 8.24184 13.2154 8.63249 15.1127 13.6195 9.97357 numMergedOcc 0
22 mol 236 unq 1 iso 0 dist 8.24184 13.2154 8.63249 12.4926 7.45579 6.36941 numMergedOcc 0
23 mol 236 unq 2 iso 0 dist 8.24184 6.63806 7.74348 16.0768 13.0929 9.96011 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 7.32876 9.77666 8.57274 12.4575 5.80854 8.55181 numMergedOcc 0
