0 mol 13 unq 0 iso 0 dist 9.20106 8.67997 7.76514 11.1708 6.52528 4.93518 numMergedOcc 0
1 mol 13 unq 0 iso 1 dist 7.76514 8.67997 9.20106 4.93518 6.52528 11.1708 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 9.05939 10.5266 8.24422 7.15351 9.4148 6.51818 numMergedOcc 0
3 mol 28 unq 0 iso 1 dist 8.24422 10.5266 9.05939 6.51818 9.4148 7.15351 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 9.38747 10.5266 8.99724 7.15351 6.87842 6.51818 numMergedOcc 0
5 mol 28 unq 1 iso 1 dist 8.99724 10.5266 9.38747 6.51818 6.87842 7.15351 numMergedOcc 0
6 mol 32 unq 0 iso 0 dist 7.13608 13.7123 9.46895 4.62392 8.22628 11.4081 numMergedOcc 0
7 mol 32 unq 0 iso 1 dist 9.46895 13.7123 7.13608 11.4081 8.22628 4.62392 numMergedOcc 0
8 mol 32 unq 1 iso 0 dist 7.13608 13.7123 9.46895 12.1285 9.82819 4.56364 numMergedOcc 0
9 mol 32 unq 1 iso 1 dist 9.46895 13.7123 7.13608 4.56364 9.82819 12.1285 numMergedOcc 0
10 mol 172 unq 0 iso 0 dist 7.77643 5.65773 4.90175 5.96894 8.03455 9.2371 numMergedOcc 0
11 mol 172 unq 0 iso 1 dist 4.90175 5.65773 7.77643 9.2371 8.03455 5.96894 numMergedOcc 0
12 mol 210 unq 0 iso 0 dist 8.50367 8.21472 8.94889 4.61281 7.80421 10.3044 numMergedOcc 0
13 mol 210 unq 0 iso 1 dist 8.94889 8.21472 8.50367 10.3044 7.80421 4.61281 numMergedOcc 0
14 mol 210 unq 1 iso 0 dist 8.50367 8.21472 8.94889 6.94265 9.71107 4.3844 numMergedOcc 0
15 mol 210 unq 1 iso 1 dist 8.94889 8.21472 8.50367 4.3844 9.71107 6.94265 numMergedOcc 0
16 mol 210 unq 2 iso 0 dist 8.50367 8.21472 8.94889 9.08763 9.7449 6.85132 numMergedOcc 0
17 mol 210 unq 2 iso 1 dist 8.94889 8.21472 8.50367 6.85132 9.7449 9.08763 numMergedOcc 0
18 mol 223 unq 0 iso 0 dist 7.76053 7.55127 9.65728 11.7479 9.94483 5.99386 numMergedOcc 0
19 mol 223 unq 0 iso 1 dist 9.65728 7.55127 7.76053 5.99386 9.94483 11.7479 numMergedOcc 0
20 mol 267 unq 0 iso 0 dist 5.72144 7.06028 6.79491 5.35674 9.58438 9.80917 numMergedOcc 0
21 mol 267 unq 0 iso 1 dist 6.79491 7.06028 5.72144 9.80917 9.58438 5.35674 numMergedOcc 0
22 mol 281 unq 0 iso 0 dist 6.47753 4.37277 9.69744 12.3104 8.90116 16.3183 numMergedOcc 0
23 mol 281 unq 0 iso 1 dist 9.69744 4.37277 6.47753 16.3183 8.90116 12.3104 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 8.5458 6.60063 8.56533 4.53492 8.43856 9.26749 numMergedOcc 0
25 mol 287 unq 0 iso 1 dist 8.56533 6.60063 8.5458 9.26749 8.43856 4.53492 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 8.5458 6.60063 8.56533 4.53492 8.43856 9.26749 numMergedOcc 0
27 mol 288 unq 0 iso 1 dist 8.56533 6.60063 8.5458 9.26749 8.43856 4.53492 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 8.5458 6.60063 8.56533 4.53492 8.43856 9.26749 numMergedOcc 0
29 mol 289 unq 0 iso 1 dist 8.56533 6.60063 8.5458 9.26749 8.43856 4.53492 numMergedOcc 0
