0 mol 1 unq 0 iso 0 dist 5.65716 9.76602 15.1444 11.1504 7.73435 20.0931 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 5.65716 9.76602 15.1444 7.10269 5.71995 16.2807 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 5.65716 8.54314 6.51994 11.1504 7.73435 13.6562 numMergedOcc 0
3 mol 1 unq 3 iso 0 dist 5.65716 8.54314 6.51994 7.10269 5.71995 10.2561 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.93613 6.26276 7.28672 6.49896 5.55437 8.076 numMergedOcc 0
5 mol 9 unq 1 iso 0 dist 5.99711 6.26276 5.60208 5.55187 5.38458 6.32226 numMergedOcc 0
6 mol 55 unq 0 iso 0 dist 8.37544 6.66861 8.02931 10.9801 6.13181 11.7175 numMergedOcc 0
7 mol 55 unq 1 iso 0 dist 4.92955 6.72084 8.02931 5.85716 6.13181 11.7175 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 8.42713 7.4518 14.7862 8.02579 5.51624 11.9258 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 8.42713 7.4518 14.7862 12.3147 7.8674 19.7572 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 8.42713 9.1687 9.42916 8.02579 5.51624 10.6771 numMergedOcc 0
11 mol 93 unq 3 iso 0 dist 8.42713 9.1687 9.42916 12.3147 7.8674 14.1075 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 7.98999 5.42828 7.60016 13.0525 9.74569 15.8456 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 9.2042 5.60184 13.1849 15.6002 9.14458 20.1324 numMergedOcc 0
14 mol 154 unq 1 iso 0 dist 9.2042 8.86862 10.7443 15.6002 9.14458 19.3964 numMergedOcc 0
15 mol 154 unq 2 iso 0 dist 9.2042 7.08477 11.4511 15.6002 9.14458 20.0833 numMergedOcc 0
16 mol 163 unq 0 iso 0 dist 5.80513 9.62943 8.55624 3.64474 7.3546 13.1233 numMergedOcc 0
17 mol 171 unq 0 iso 0 dist 7.68295 6.80086 9.56885 14.0377 9.75627 14.1688 numMergedOcc 0
18 mol 173 unq 0 iso 0 dist 7.92535 9.38737 9.52796 10.6822 9.29264 11.8533 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 7.47107 8.03512 8.15427 11.4288 5.52678 13.5056 numMergedOcc 0
20 mol 194 unq 1 iso 0 dist 7.47107 8.03512 8.15427 15.4624 9.81666 14.8532 numMergedOcc 0
21 mol 237 unq 0 iso 0 dist 8.06435 8.42502 6.26206 6.68355 7.63812 5.06628 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 8.15795 8.12414 8.09074 4.88527 6.47194 9.91199 numMergedOcc 0
23 mol 286 unq 0 iso 0 dist 7.77655 8.23877 11.0947 6.77784 5.91064 10.9416 numMergedOcc 0
