0 mol 5 unq 0 iso 0 dist 5.2392 4.42081 9.22027 8.70824 11.3755 8.97274 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 5.2392 4.42081 9.22027 5.93404 5.90479 7.5815 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 6.50444 6.23648 7.14537 13.4422 12.2644 7.93277 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 8.59739 3.45432 8.51259 5.55798 5.71097 7.318 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 4.49975 3.86836 5.42044 8.84165 8.2382 9.8896 numMergedOcc 0
5 mol 195 unq 0 iso 0 dist 8.60546 3.7157 8.22795 12.8447 14.0091 9.20541 numMergedOcc 0
6 mol 195 unq 1 iso 0 dist 9.48766 6.61517 6.396 9.35664 6.04748 6.65077 numMergedOcc 0
7 mol 197 unq 0 iso 0 dist 6.90791 5.37149 6.69042 9.35708 3.35829 7.86042 numMergedOcc 0
8 mol 205 unq 0 iso 0 dist 6.41148 6.10058 5.03818 14.2455 10.023 8.92597 numMergedOcc 0
9 mol 205 unq 1 iso 0 dist 6.41148 6.10058 5.03818 8.47833 10.1222 7.53734 numMergedOcc 0
10 mol 205 unq 2 iso 0 dist 6.41148 6.10058 5.03818 5.05912 9.99561 9.79826 numMergedOcc 0
11 mol 205 unq 3 iso 0 dist 5.06713 3.50446 5.03818 12.1567 10.023 8.92597 numMergedOcc 0
12 mol 205 unq 4 iso 0 dist 5.06713 3.50446 5.03818 5.47586 10.1222 7.53734 numMergedOcc 0
13 mol 205 unq 5 iso 0 dist 5.06713 3.50446 5.03818 6.60429 9.99561 9.79826 numMergedOcc 0
14 mol 205 unq 6 iso 0 dist 8.69512 3.50446 6.40171 12.1567 6.22981 8.92597 numMergedOcc 0
15 mol 205 unq 7 iso 0 dist 8.69512 3.50446 6.40171 5.47586 10.4922 7.53734 numMergedOcc 0
16 mol 205 unq 8 iso 0 dist 8.69512 3.50446 6.40171 6.60429 15.2328 9.79826 numMergedOcc 0
17 mol 206 unq 0 iso 0 dist 8.79378 9.39446 9.95026 13.4439 7.9981 8.43994 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 8.86886 4.91709 8.14294 4.87053 6.4817 7.99441 numMergedOcc 0
19 mol 222 unq 1 iso 0 dist 8.86886 5.96186 5.72 4.87053 6.4817 6.71817 numMergedOcc 0
20 mol 222 unq 2 iso 0 dist 8.86886 9.55743 6.84052 4.87053 6.4817 8.41524 numMergedOcc 0
21 mol 225 unq 0 iso 0 dist 9.49163 12.7092 6.46405 20.1501 12.7959 8.69052 numMergedOcc 0
22 mol 225 unq 1 iso 0 dist 9.99149 11.662 6.46405 18.2886 12.7959 8.69052 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 6.96382 3.68226 4.66186 5.83514 4.70535 5.52788 numMergedOcc 0
