0 mol 18 unq 0 iso 0 dist 6.91876 4.76462 9.17529 8.95648 6.46361 7.60512 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 7.43338 6.5207 6.02472 6.03151 3.66253 5.43693 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 9.8089 12.6221 9.76351 21.4018 14.463 9.77084 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 9.8089 12.6221 9.76351 18.3491 13.9245 6.5551 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 7.9309 8.07204 5.68212 16.2063 8.85381 9.95355 numMergedOcc 0
5 mol 83 unq 1 iso 0 dist 7.9309 8.07204 5.68212 14.6116 6.70737 9.69913 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 4.56886 10.6596 9.75061 12.9795 9.35007 7.75314 numMergedOcc 0
7 mol 192 unq 0 iso 0 dist 5.83093 10.8213 8.14859 13.2155 8.06606 9.40971 numMergedOcc 0
8 mol 192 unq 1 iso 0 dist 5.83093 6.75301 5.62421 13.2155 8.06606 9.8428 numMergedOcc 0
9 mol 193 unq 0 iso 0 dist 7.71716 5.35985 9.16058 8.28942 7.03555 8.15661 numMergedOcc 0
10 mol 193 unq 1 iso 0 dist 8.71993 12.9817 9.16058 14.8267 7.03555 8.15661 numMergedOcc 0
11 mol 198 unq 0 iso 0 dist 7.62505 9.96095 9.60514 9.85404 5.14649 8.63279 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 9.23669 10.389 7.59757 19.614 14.13 9.48625 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 6.02053 5.10109 9.37516 7.18098 3.73699 8.31721 numMergedOcc 0
14 mol 205 unq 1 iso 0 dist 7.41663 9.30128 9.37516 10.1621 3.73699 8.31721 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 5.07376 4.07416 6.84722 5.88041 4.67513 5.05368 numMergedOcc 0
16 mol 229 unq 0 iso 0 dist 9.42877 5.52902 8.70049 11.2132 11.4693 9.37336 numMergedOcc 0
17 mol 242 unq 0 iso 0 dist 9.31878 5.72074 9.55401 6.1076 4.46131 6.31971 numMergedOcc 0
18 mol 273 unq 0 iso 0 dist 7.84151 5.63899 9.16554 9.29783 5.53908 7.85836 numMergedOcc 0
19 mol 273 unq 1 iso 0 dist 7.84151 5.63899 9.16554 8.28809 8.8839 6.35532 numMergedOcc 0
20 mol 273 unq 2 iso 0 dist 7.84151 7.46111 8.83491 11.3096 12.7125 5.61969 numMergedOcc 0
21 mol 273 unq 3 iso 0 dist 7.346 11.3048 9.16554 12.1337 5.53908 7.85836 numMergedOcc 0
22 mol 273 unq 4 iso 0 dist 7.346 11.3048 9.16554 13.5107 8.8839 6.35532 numMergedOcc 0
23 mol 273 unq 5 iso 0 dist 7.346 5.60451 8.83491 11.2194 12.7125 5.61969 numMergedOcc 0
24 mol 273 unq 6 iso 0 dist 7.85797 5.63899 9.65597 9.29783 11.7146 7.85836 numMergedOcc 0
25 mol 273 unq 7 iso 0 dist 7.85797 5.63899 9.65597 8.28809 7.90253 6.35532 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 9.60309 6.28133 9.5144 12.8302 16.7232 8.6233 numMergedOcc 0
