0 mol 25 unq 0 iso 0 dist 9.07927 8.69224 7.23535 12.3669 9.87281 11.3003 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.50987 8.69224 9.92243 12.3669 7.63928 11.3003 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 8.46313 9.02073 9.76892 3.88133 7.52103 11.774 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 8.46313 9.02073 9.76892 12.1397 8.46556 17.5952 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 9.74289 6.82511 10.6721 10.1479 8.04256 14.7508 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 9.74289 6.82511 10.6721 3.95228 7.51075 5.57551 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 9.79714 9.06957 15.7682 3.80683 9.71952 12.6801 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 9.79714 9.06957 15.7682 6.77296 7.28257 15.5099 numMergedOcc 0
8 mol 76 unq 2 iso 0 dist 7.36475 5.61831 3.69293 5.94401 6.4551 6.46582 numMergedOcc 0
9 mol 90 unq 0 iso 0 dist 8.364 9.98861 4.79453 8.01469 9.44078 10.177 numMergedOcc 0
10 mol 90 unq 1 iso 0 dist 8.364 9.98861 4.79453 4.93451 5.9179 6.10053 numMergedOcc 0
11 mol 90 unq 2 iso 0 dist 7.37255 5.52904 4.79453 6.21918 9.44078 10.177 numMergedOcc 0
12 mol 90 unq 3 iso 0 dist 7.37255 5.52904 4.79453 5.41685 5.9179 6.10053 numMergedOcc 0
13 mol 101 unq 0 iso 0 dist 7.42893 9.26699 7.89838 4.58154 5.22543 10.7133 numMergedOcc 0
14 mol 120 unq 0 iso 0 dist 9.41521 8.31527 5.61274 9.0362 7.04864 11.0505 numMergedOcc 0
15 mol 120 unq 1 iso 0 dist 9.41521 7.64841 3.35803 9.0362 7.04864 8.03124 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 9.06272 5.5917 10.3933 4.02665 6.38163 7.04904 numMergedOcc 0
17 mol 129 unq 1 iso 0 dist 9.06272 5.24806 9.27274 4.02665 6.38163 5.06053 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 6.44766 9.77654 3.84862 11.2112 7.81337 9.46108 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 4.71754 7.39043 3.57917 6.24332 7.75084 7.45831 numMergedOcc 0
20 mol 220 unq 1 iso 0 dist 5.07968 9.54857 4.86965 6.85536 7.16386 9.19289 numMergedOcc 0
21 mol 220 unq 2 iso 0 dist 5.07968 8.73456 3.7812 6.85536 7.16386 8.60252 numMergedOcc 0
22 mol 249 unq 0 iso 0 dist 9.14351 5.3865 10.3504 8.05633 6.37672 12.1989 numMergedOcc 0
23 mol 249 unq 1 iso 0 dist 9.14351 5.3865 10.3504 6.09778 8.94023 11.121 numMergedOcc 0
24 mol 257 unq 0 iso 0 dist 6.44188 9.12546 7.41143 9.11516 9.83721 9.82105 numMergedOcc 0
25 mol 257 unq 1 iso 0 dist 5.13633 8.71617 7.41143 12.611 9.83721 9.82105 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 6.86014 7.34927 7.75371 11.7966 9.29635 5.11998 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 5.97073 7.54315 7.75371 7.00586 9.29635 5.11998 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 6.87804 7.61675 9.12345 12.1872 9.20416 17.7265 numMergedOcc 0
29 mol 292 unq 1 iso 0 dist 6.87804 7.61675 9.12345 12.2904 7.53641 13.5939 numMergedOcc 0
30 mol 292 unq 2 iso 0 dist 6.07571 4.97488 7.22011 11.4534 9.20416 15.2035 numMergedOcc 0
31 mol 292 unq 3 iso 0 dist 6.07571 4.97488 7.22011 4.49811 7.53641 9.01115 numMergedOcc 0
