0 mol 11 unq 0 iso 0 dist 6.89666 6.09937 7.28643 4.73237 4.61088 8.68293 10.6838 6.86684 13.5125 5.96346 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.54519 8.6586 6.7846 13.2653 5.54419 8.23075 13.5984 5.59311 12.2271 8.70827 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.54519 8.6586 6.7846 13.2653 5.54419 8.23075 18.4559 12.176 12.2839 6.73939 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 9.54519 8.6586 6.7846 5.80023 7.36323 10.551 13.5984 5.59311 12.2271 9.12854 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.9747 9.68556 13.6536 4.75138 5.08437 14.3025 10.9995 7.06961 20.0255 6.7117 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 5.9747 9.68556 13.6536 11.3628 6.10456 18.9347 10.9995 7.06961 20.0255 4.47349 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 6.38163 7.04904 10.3933 10.0961 5.83384 12.0878 12.672 10.7293 9.06432 9.36851 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 6.38163 7.04904 10.3933 10.0961 5.83384 12.0878 11.6466 7.29399 11.2951 4.97175 numMergedOcc 0
8 mol 129 unq 2 iso 0 dist 6.38163 5.06053 9.27274 10.0961 5.83384 12.4085 12.672 10.7293 10.8855 9.36851 numMergedOcc 0
9 mol 129 unq 3 iso 0 dist 6.38163 5.06053 9.27274 10.0961 5.83384 12.4085 11.6466 7.29399 12.0589 4.97175 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 5.82404 8.52036 11.323 10.2385 6.29155 17.3734 6.72323 4.54648 12.7291 6.16242 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 5.82404 8.52036 11.323 4.64588 6.80239 13.0458 6.72323 4.54648 12.7291 5.87634 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 6.752 8.93485 5.42503 4.2475 7.45763 9.31158 7.23557 5.8535 9.43113 4.8668 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 5.4913 5.66636 5.42503 6.8901 7.45763 9.31158 8.86587 5.8535 9.43113 4.8668 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 8.62103 9.49242 9.97638 3.84723 6.18308 11.1783 10.7279 5.87279 15.3859 7.10826 numMergedOcc 0
15 mol 210 unq 1 iso 0 dist 8.62103 9.25184 4.29623 3.84723 6.18308 6.85824 10.7279 5.87279 4.73037 7.10826 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 7.85877 4.90656 8.89157 4.82768 7.21333 5.1609 5.89818 7.75656 3.98604 7.67576 numMergedOcc 0
17 mol 222 unq 1 iso 0 dist 7.85877 4.90656 8.89157 4.82768 7.21333 5.1609 9.32543 16.0949 7.99695 9.82371 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 9.29752 9.67243 5.61663 9.60401 8.27212 12.5802 7.83422 8.80479 12.3471 9.05071 numMergedOcc 0
19 mol 235 unq 0 iso 0 dist 8.48065 8.1174 4.75609 5.23741 5.4638 8.08965 10.8785 7.60081 6.82702 9.55668 numMergedOcc 0
