0 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 13.4836 8.60554 8.52463 13.7923 5.97304 6.60423 9.36461 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.20058 16.6906 8.86116 11.9824 8.44664 10.971 13.7923 5.97304 6.60423 11.9865 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.20058 16.6906 8.86116 9.04355 9.44691 13.4893 13.7923 5.97304 6.60423 14.4545 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 9.22151 4.96681 7.57578 6.63966 8.50222 6.08585 9.75994 9.36158 6.90155 12.7162 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 6.22122 4.96681 7.17969 6.63966 7.55264 6.08585 9.75994 10.1525 6.90155 12.7162 numMergedOcc 0
5 mol 52 unq 0 iso 0 dist 5.26018 10.3287 7.34143 5.09324 6.31696 6.66056 11.7647 8.9759 9.9052 11.1601 numMergedOcc 0
6 mol 52 unq 1 iso 0 dist 7.1203 6.03647 7.34143 10.4823 6.31696 6.66056 11.5664 8.9759 9.9052 11.1601 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 5.70279 5.92158 7.47343 10.838 8.30845 12.2861 13.7941 14.9392 9.00544 20.8516 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 5.70279 5.92158 7.47343 10.838 8.30845 12.2861 12.3707 12.6602 7.12017 13.9603 numMergedOcc 0
9 mol 100 unq 2 iso 0 dist 5.70279 5.92158 7.47343 11.4018 8.76378 15.5385 13.7941 14.9392 9.00544 21.7784 numMergedOcc 0
10 mol 100 unq 3 iso 0 dist 5.70279 5.92158 7.47343 11.4018 8.76378 15.5385 12.3707 12.6602 7.12017 21.4058 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 8.62648 4.6251 8.73993 9.25614 6.52773 7.20179 7.20629 3.78311 7.77116 8.8562 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 8.62648 4.6251 8.73993 5.53673 9.23858 9.89358 7.20629 3.78311 7.77116 7.91683 numMergedOcc 0
13 mol 126 unq 0 iso 0 dist 6.24392 5.50061 6.06638 5.23583 6.30546 6.0268 9.31118 5.5703 9.46588 5.94233 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 6.23966 6.65856 5.83384 6.47522 6.28565 4.55551 12.3218 6.67948 8.03372 9.94578 numMergedOcc 0
15 mol 129 unq 1 iso 0 dist 6.23966 6.65856 5.83384 5.85167 7.58957 10.5488 12.3218 6.67948 8.03372 13.9747 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 6.56225 6.2479 6.6251 11.4129 13.8722 6.51749 10.8541 numMergedOcc 0
17 mol 209 unq 0 iso 0 dist 6.14896 9.80484 7.56373 5.78532 6.85935 6.552 9.93982 4.90038 8.41195 7.97418 numMergedOcc 0
18 mol 209 unq 1 iso 0 dist 9.12289 11.2544 7.56373 4.84945 6.85935 6.552 10.7597 4.90038 8.41195 7.97418 numMergedOcc 0
19 mol 229 unq 0 iso 0 dist 8.8557 5.65373 8.22528 10.4939 8.66332 6.65022 11.5087 11.6847 8.92743 13.9637 numMergedOcc 0
