0 mol 2 unq 0 iso 0 dist 9.76215 9.9335 17.3641 10.8368 16.3544 6.15195 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.76215 9.9335 17.3641 6.38677 10.3528 7.37296 numMergedOcc 0
2 mol 4 unq 0 iso 0 dist 7.53929 6.22303 6.82441 6.80703 14.0377 9.84876 numMergedOcc 0
3 mol 4 unq 1 iso 0 dist 7.53929 6.22303 6.82441 5.13908 6.34563 8.7041 numMergedOcc 0
4 mol 14 unq 0 iso 0 dist 8.73962 6.3453 4.78188 5.64699 12.0753 8.19687 numMergedOcc 0
5 mol 14 unq 1 iso 0 dist 8.73962 6.3453 4.78188 7.37113 10.4522 5.71901 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 6.01552 7.96502 8.24748 5.25196 9.67403 8.30431 numMergedOcc 0
7 mol 61 unq 1 iso 0 dist 6.01552 7.96502 8.24748 6.97911 9.7314 4.628 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 6.48746 8.71324 11.1165 13.6999 17.346 9.3473 numMergedOcc 0
9 mol 64 unq 1 iso 0 dist 6.48746 9.5663 7.89444 12.6498 12.8981 6.08228 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 9.75708 9.23755 6.17006 12.5791 13.5397 8.4438 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 8.03407 8.98532 8.6267 12.3568 16.908 9.56884 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 8.03407 8.98532 8.6267 5.38868 6.78043 8.67865 numMergedOcc 0
13 mol 92 unq 2 iso 0 dist 8.03407 8.98532 8.6267 5.80362 11.6391 8.40148 numMergedOcc 0
14 mol 92 unq 3 iso 0 dist 6.39759 8.98532 4.68995 12.3568 12.8843 9.56884 numMergedOcc 0
15 mol 92 unq 4 iso 0 dist 6.39759 8.98532 4.68995 5.38868 5.74364 8.67865 numMergedOcc 0
16 mol 92 unq 5 iso 0 dist 6.39759 8.98532 4.68995 5.80362 8.60026 8.40148 numMergedOcc 0
17 mol 103 unq 0 iso 0 dist 9.71805 6.88956 8.31877 10.7167 14.1109 7.57822 numMergedOcc 0
18 mol 103 unq 1 iso 0 dist 4.9418 6.88956 4.36597 10.7167 6.67575 7.57822 numMergedOcc 0
19 mol 103 unq 2 iso 0 dist 5.7953 6.88956 5.3449 10.7167 12.2142 7.57822 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 8.47476 8.3097 3.56357 11.948 6.32669 8.56593 numMergedOcc 0
21 mol 141 unq 1 iso 0 dist 6.74947 8.3097 14.4565 11.948 17.7927 8.56593 numMergedOcc 0
22 mol 207 unq 0 iso 0 dist 9.13327 4.70143 8.33283 9.07366 16.0316 8.84785 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 9.71864 5.99718 8.54852 9.55761 14.184 8.23246 numMergedOcc 0
24 mol 220 unq 1 iso 0 dist 6.62404 5.60195 4.68697 8.66923 10.0343 7.86207 numMergedOcc 0
25 mol 220 unq 2 iso 0 dist 9.37847 7.87359 4.68697 5.3178 10.0343 7.86207 numMergedOcc 0
26 mol 226 unq 0 iso 0 dist 9.31677 6.3687 9.96567 12.3798 12.1792 7.20862 numMergedOcc 0
27 mol 227 unq 0 iso 0 dist 5.36841 8.32703 7.27568 5.55239 6.14732 5.2851 numMergedOcc 0
28 mol 241 unq 0 iso 0 dist 5.66945 7.16232 4.84498 10.121 12.3126 9.174 numMergedOcc 0
29 mol 261 unq 0 iso 0 dist 8.07113 9.66298 13.4973 17.0555 19.4867 9.70222 numMergedOcc 0
30 mol 278 unq 0 iso 0 dist 8.79625 6.03414 8.84423 5.49004 6.83278 8.87405 numMergedOcc 0
31 mol 278 unq 1 iso 0 dist 9.9609 6.03414 9.58279 5.49004 14.6962 8.87405 numMergedOcc 0
