0 mol 54 unq 0 iso 0 dist 6.43581 6.5716 7.56581 5.76776 7.04671 6.4484 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 6.43581 11.1053 9.22021 5.76776 7.04671 9.96705 numMergedOcc 0
2 mol 66 unq 0 iso 0 dist 8.01463 6.64193 6.49416 4.77174 8.83599 5.99928 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 6.62049 7.00398 7.48658 11.2862 9.81484 8.70803 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 6.62049 7.00398 7.48658 10.5888 5.77527 9.52327 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 6.62049 7.00398 7.48658 10.2369 7.313 13.093 numMergedOcc 0
6 mol 92 unq 3 iso 0 dist 6.62049 6.28197 7.20279 11.2862 9.81484 7.52639 numMergedOcc 0
7 mol 92 unq 4 iso 0 dist 6.62049 6.28197 7.20279 10.5888 5.77527 7.34683 numMergedOcc 0
8 mol 92 unq 5 iso 0 dist 6.62049 6.28197 7.20279 10.2369 7.313 5.96752 numMergedOcc 0
9 mol 157 unq 0 iso 0 dist 8.34892 11.5504 6.8364 8.72685 6.58984 8.0238 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 8.97447 11.0126 6.95549 11.5991 7.41985 5.74662 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 9.52943 6.80685 7.61316 11.9406 7.12765 6.61274 numMergedOcc 0
12 mol 194 unq 1 iso 0 dist 9.52943 6.80685 7.61316 13.2076 5.67863 10.286 numMergedOcc 0
13 mol 194 unq 2 iso 0 dist 9.52943 6.80685 7.61316 18.7614 9.42308 15.0555 numMergedOcc 0
14 mol 198 unq 0 iso 0 dist 7.87301 9.3872 5.82585 5.04011 6.50352 9.73871 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 7.19514 6.04644 8.25629 14.4456 7.83637 13.052 numMergedOcc 0
16 mol 225 unq 1 iso 0 dist 7.19514 14.6091 9.31373 14.4456 7.83637 8.32583 numMergedOcc 0
17 mol 225 unq 2 iso 0 dist 7.19514 14.5152 9.20561 14.4456 7.83637 9.16289 numMergedOcc 0
18 mol 225 unq 3 iso 0 dist 7.19514 9.69413 9.88976 14.4456 7.83637 16.6675 numMergedOcc 0
19 mol 225 unq 4 iso 0 dist 7.35466 12.7276 8.25629 4.10349 7.83637 13.052 numMergedOcc 0
20 mol 225 unq 5 iso 0 dist 7.35466 11.6661 9.31373 4.10349 7.83637 8.32583 numMergedOcc 0
21 mol 225 unq 6 iso 0 dist 7.35466 6.81109 9.20561 4.10349 7.83637 9.16289 numMergedOcc 0
22 mol 225 unq 7 iso 0 dist 7.35466 17.0616 9.88976 4.10349 7.83637 16.6675 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 7.4534 10.0185 5.45139 8.97539 6.85567 11.169 numMergedOcc 0
24 mol 239 unq 1 iso 0 dist 7.4534 5.33628 8.10769 8.97539 6.85567 6.34419 numMergedOcc 0
25 mol 256 unq 0 iso 0 dist 7.35324 9.41321 9.72168 5.05199 6.65749 11.578 numMergedOcc 0
26 mol 256 unq 1 iso 0 dist 7.35324 9.41321 9.72168 5.9572 4.73652 7.7384 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 9.46555 6.8193 8.14531 4.39424 7.05518 5.63675 numMergedOcc 0
