0 mol 7 unq 0 iso 0 dist 6.8464 9.85147 5.99972 9.15183 5.13353 9.68006 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.15183 9.85147 9.68006 6.8464 5.13353 5.99972 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 5.68648 9.35502 7.03958 16.336 12.4076 8.53529 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 5.68648 9.35502 7.03958 15.1676 10.9495 7.18019 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 5.68648 9.35502 7.03958 12.2649 8.09332 8.44009 numMergedOcc 0
5 mol 15 unq 0 iso 0 dist 6.82187 7.49229 5.89412 12.0227 11.0528 7.07399 numMergedOcc 0
6 mol 15 unq 1 iso 0 dist 6.60595 7.11548 6.42748 12.0433 11.7498 7.48342 numMergedOcc 0
7 mol 19 unq 0 iso 0 dist 6.41045 10.4834 8.40416 13.3505 7.67038 7.75618 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 8.0319 15.2997 7.29868 23.5364 15.5315 8.4051 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 8.0319 15.2997 7.29868 15.5112 10.0952 8.60554 numMergedOcc 0
10 mol 26 unq 0 iso 0 dist 6.12361 6.76331 6.46104 10.117 7.96502 7.36856 numMergedOcc 0
11 mol 65 unq 0 iso 0 dist 9.16749 5.82003 7.90294 14.2989 14.4691 9.34791 numMergedOcc 0
12 mol 65 unq 1 iso 0 dist 9.16749 5.82003 7.90294 12.7218 10.2941 8.22785 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 9.67557 13.5302 7.54568 19.3849 10.1164 9.39864 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 7.689 12.5859 7.01812 11.1764 5.88134 8.30845 numMergedOcc 0
15 mol 100 unq 1 iso 0 dist 9.22737 10.6748 8.30845 12.7823 5.88134 7.01812 numMergedOcc 0
16 mol 101 unq 0 iso 0 dist 8.65215 4.93063 6.98314 9.65097 6.69637 7.61685 numMergedOcc 0
17 mol 101 unq 1 iso 0 dist 9.65097 4.93063 7.61685 8.65215 6.69637 6.98314 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 8.97762 11.4871 6.16242 15.4305 7.81217 5.87634 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 8.86784 12.3839 7.80532 13.8807 5.79898 5.83771 numMergedOcc 0
20 mol 155 unq 0 iso 0 dist 8.57712 10.7516 6.53347 15.3124 7.01918 8.69157 numMergedOcc 0
21 mol 170 unq 0 iso 0 dist 9.32245 4.11212 6.35982 11.0677 6.52462 9.10511 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 7.7544 7.18433 9.39829 11.1074 8.85576 6.41453 numMergedOcc 0
23 mol 195 unq 0 iso 0 dist 7.04524 8.71774 9.26504 10.999 10.7531 7.36683 numMergedOcc 0
24 mol 206 unq 0 iso 0 dist 8.11407 11.6019 6.16414 8.95375 5.63422 7.75885 numMergedOcc 0
25 mol 206 unq 1 iso 0 dist 8.95375 11.6019 7.75885 8.11407 5.63422 6.16414 numMergedOcc 0
26 mol 206 unq 2 iso 0 dist 9.29007 6.64436 7.75885 11.3921 5.63422 6.16414 numMergedOcc 0
27 mol 226 unq 0 iso 0 dist 9.30975 4.66376 8.80683 9.14028 5.16662 6.11704 numMergedOcc 0
28 mol 226 unq 1 iso 0 dist 9.14028 4.66376 6.11704 9.30975 5.16662 8.80683 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 8.6771 6.12869 7.57812 13.7175 10.0191 9.24557 numMergedOcc 0
30 mol 249 unq 0 iso 0 dist 6.26142 9.55793 5.48118 10.7059 5.3927 7.25858 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 7.57187 12.7787 9.63959 19.1329 12.4198 9.96262 numMergedOcc 0
32 mol 258 unq 1 iso 0 dist 7.57187 12.7787 9.63959 16.512 12.321 7.21311 numMergedOcc 0
33 mol 274 unq 0 iso 0 dist 8.41236 11.7852 7.46394 17.5092 10.501 9.45514 numMergedOcc 0
34 mol 274 unq 1 iso 0 dist 8.41236 11.7852 7.46394 16.1637 14.3919 8.91672 numMergedOcc 0
35 mol 274 unq 2 iso 0 dist 8.41236 11.7852 7.46394 11.0949 6.15918 7.1729 numMergedOcc 0
36 mol 278 unq 0 iso 0 dist 6.84604 10.7698 6.62841 11.8771 8.29447 8.00673 numMergedOcc 0
37 mol 287 unq 0 iso 0 dist 7.7743 9.62532 9.65934 14.8635 10.9208 8.91712 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 7.7743 9.62532 9.65934 14.8635 10.9208 8.91712 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 7.7743 9.62532 9.65934 14.8635 10.9208 8.91712 numMergedOcc 0
