0 mol 54 unq 0 iso 0 dist 6.39423 4.98983 8.10071 9.44826 9.99699 8.13653 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 6.39423 4.98983 8.10071 6.53191 9.97805 5.44539 numMergedOcc 0
2 mol 100 unq 0 iso 0 dist 8.9164 11.3589 9.09555 11.3135 5.36674 5.61016 numMergedOcc 0
3 mol 163 unq 0 iso 0 dist 8.08225 11.4143 6.58002 12.6584 5.52157 9.85967 numMergedOcc 0
4 mol 188 unq 0 iso 0 dist 6.86607 7.01385 8.48704 11.8878 6.28664 9.98092 numMergedOcc 0
5 mol 218 unq 0 iso 0 dist 7.78107 5.68847 5.51354 11.1802 4.80435 9.86417 numMergedOcc 0
6 mol 218 unq 1 iso 0 dist 6.89237 5.94768 5.51354 8.80237 4.80435 9.86417 numMergedOcc 0
7 mol 223 unq 0 iso 0 dist 9.41761 7.99016 4.30445 10.3328 6.59509 6.03408 numMergedOcc 0
8 mol 223 unq 1 iso 0 dist 9.41761 15.432 9.10041 23.7895 15.4738 9.29204 numMergedOcc 0
9 mol 223 unq 2 iso 0 dist 9.41761 15.432 9.10041 22.2797 14.4135 9.14789 numMergedOcc 0
10 mol 223 unq 3 iso 0 dist 9.41761 15.432 9.10041 10.3328 6.59509 7.80764 numMergedOcc 0
11 mol 223 unq 4 iso 0 dist 9.41761 15.432 9.10041 17.0376 11.687 5.75896 numMergedOcc 0
12 mol 239 unq 0 iso 0 dist 6.88436 5.7425 6.17408 9.13354 12.3365 9.09835 numMergedOcc 0
13 mol 239 unq 1 iso 0 dist 6.88436 5.7425 6.17408 9.90375 9.92669 7.21466 numMergedOcc 0
14 mol 239 unq 2 iso 0 dist 5.28176 5.7425 6.17602 9.13354 13.2575 9.09835 numMergedOcc 0
15 mol 239 unq 3 iso 0 dist 5.28176 5.7425 6.17602 9.90375 12.0265 7.21466 numMergedOcc 0
16 mol 249 unq 0 iso 0 dist 9.43148 4.7367 6.68963 8.05967 4.58432 6.18866 numMergedOcc 0
17 mol 249 unq 1 iso 0 dist 9.43148 4.7367 6.68963 9.62613 5.29321 9.3807 numMergedOcc 0
18 mol 265 unq 0 iso 0 dist 5.67503 13.5795 8.43749 17.246 13.7732 9.56472 numMergedOcc 0
19 mol 265 unq 1 iso 0 dist 5.67503 13.5795 8.43749 17.4161 11.9238 6.5072 numMergedOcc 0
20 mol 265 unq 2 iso 0 dist 5.67503 13.5795 8.43749 12.3647 6.97261 4.03921 numMergedOcc 0
21 mol 280 unq 0 iso 0 dist 8.72928 6.54706 7.38699 9.33684 5.09741 9.43447 numMergedOcc 0
22 mol 280 unq 1 iso 0 dist 8.32734 5.90566 7.38699 12.6321 5.09741 9.43447 numMergedOcc 0
