0 mol 9 unq 0 iso 0 dist 6.17406 8.64753 6.17866 7.84694 3.91893 4.94281 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 8.64753 6.17406 6.17866 7.84694 4.94281 3.91893 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.2707 8.99816 5.43306 8.33478 3.91893 5.1623 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 8.99816 7.2707 5.43306 8.33478 5.1623 3.91893 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 7.2707 5.96667 6.17866 8.33478 3.91893 4.94281 numMergedOcc 0
5 mol 9 unq 2 iso 1 dist 5.96667 7.2707 6.17866 8.33478 4.94281 3.91893 numMergedOcc 0
6 mol 9 unq 2 iso 0 dist 8.99816 5.96667 4.41171 8.33478 5.1623 4.94281 numMergedOcc 0
7 mol 9 unq 2 iso 1 dist 5.96667 8.99816 4.41171 8.33478 4.94281 5.1623 numMergedOcc 0
8 mol 20 unq 0 iso 0 dist 6.70097 5.69408 6.92904 4.71805 9.0513 4.49878 numMergedOcc 0
9 mol 20 unq 0 iso 1 dist 5.69408 6.70097 6.92904 4.71805 4.49878 9.0513 numMergedOcc 0
10 mol 20 unq 1 iso 0 dist 6.70097 5.74445 11.7567 4.71805 9.0513 3.59314 numMergedOcc 0
11 mol 20 unq 1 iso 1 dist 5.74445 6.70097 11.7567 4.71805 3.59314 9.0513 numMergedOcc 0
12 mol 20 unq 1 iso 0 dist 5.69408 5.74445 7.6091 4.71805 4.49878 3.59314 numMergedOcc 0
13 mol 20 unq 1 iso 1 dist 5.74445 5.69408 7.6091 4.71805 3.59314 4.49878 numMergedOcc 0
14 mol 30 unq 0 iso 0 dist 8.28062 6.90201 9.67702 6.64571 10.8038 5.6849 numMergedOcc 0
15 mol 30 unq 0 iso 1 dist 6.90201 8.28062 9.67702 6.64571 5.6849 10.8038 numMergedOcc 0
16 mol 46 unq 0 iso 0 dist 9.10488 7.46937 4.19511 5.77506 8.89488 5.31862 numMergedOcc 0
17 mol 46 unq 0 iso 1 dist 7.46937 9.10488 4.19511 5.77506 5.31862 8.89488 numMergedOcc 0
18 mol 46 unq 1 iso 0 dist 9.10488 8.64968 10.2934 5.77506 8.89488 3.55932 numMergedOcc 0
19 mol 46 unq 1 iso 1 dist 8.64968 9.10488 10.2934 5.77506 3.55932 8.89488 numMergedOcc 0
20 mol 46 unq 1 iso 0 dist 7.46937 8.64968 6.12063 5.77506 5.31862 3.55932 numMergedOcc 0
21 mol 46 unq 1 iso 1 dist 8.64968 7.46937 6.12063 5.77506 3.55932 5.31862 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 9.81484 5.77527 6.2185 8.38104 8.93569 3.98877 numMergedOcc 0
23 mol 92 unq 0 iso 1 dist 5.77527 9.81484 6.2185 8.38104 3.98877 8.93569 numMergedOcc 0
24 mol 92 unq 1 iso 0 dist 9.81484 7.313 10.258 8.38104 8.93569 8.90513 numMergedOcc 0
25 mol 92 unq 1 iso 1 dist 7.313 9.81484 10.258 8.38104 8.90513 8.93569 numMergedOcc 0
26 mol 92 unq 1 iso 0 dist 5.77527 7.313 6.3583 8.38104 3.98877 8.90513 numMergedOcc 0
27 mol 92 unq 1 iso 1 dist 7.313 5.77527 6.3583 8.38104 8.90513 3.98877 numMergedOcc 0
28 mol 162 unq 0 iso 0 dist 8.01723 8.81613 6.09203 9.39575 9.75769 4.2048 numMergedOcc 0
29 mol 162 unq 0 iso 1 dist 8.81613 8.01723 6.09203 9.39575 4.2048 9.75769 numMergedOcc 0
30 mol 169 unq 0 iso 0 dist 8.28207 8.37345 5.63521 7.47708 11.1464 11.6489 numMergedOcc 0
31 mol 169 unq 0 iso 1 dist 8.37345 8.28207 5.63521 7.47708 11.6489 11.1464 numMergedOcc 0
32 mol 224 unq 0 iso 0 dist 8.3341 9.04508 5.73267 8.5078 12.5391 13.4014 numMergedOcc 0
33 mol 224 unq 0 iso 1 dist 9.04508 8.3341 5.73267 8.5078 13.4014 12.5391 numMergedOcc 0
34 mol 237 unq 0 iso 0 dist 8.20201 6.21939 6.08027 8.5384 5.18809 9.41069 numMergedOcc 0
35 mol 237 unq 0 iso 1 dist 6.21939 8.20201 6.08027 8.5384 9.41069 5.18809 numMergedOcc 0
36 mol 237 unq 1 iso 0 dist 8.08467 7.00854 6.08027 8.96961 10.3308 5.74428 numMergedOcc 0
37 mol 237 unq 1 iso 1 dist 7.00854 8.08467 6.08027 8.96961 5.74428 10.3308 numMergedOcc 0
38 mol 244 unq 0 iso 0 dist 7.34165 6.61951 12.6991 9.13546 11.2616 13.2473 numMergedOcc 0
39 mol 244 unq 0 iso 1 dist 6.61951 7.34165 12.6991 9.13546 13.2473 11.2616 numMergedOcc 0
40 mol 244 unq 1 iso 0 dist 7.34165 6.61951 12.6991 8.16952 9.69994 7.44401 numMergedOcc 0
41 mol 244 unq 1 iso 1 dist 6.61951 7.34165 12.6991 8.16952 7.44401 9.69994 numMergedOcc 0
42 mol 244 unq 2 iso 0 dist 7.34165 6.61951 12.6991 7.58413 14.0851 5.68434 numMergedOcc 0
43 mol 244 unq 2 iso 1 dist 6.61951 7.34165 12.6991 7.58413 5.68434 14.0851 numMergedOcc 0
