0 mol 5 unq 0 iso 0 dist 6.81899 6.28914 8.97274 9.06678 11.3755 9.22027 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.91509 6.28914 7.5815 9.06678 5.90479 9.22027 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 8.53135 11.2036 9.78134 13.4548 11.1943 5.09702 numMergedOcc 0
3 mol 39 unq 0 iso 0 dist 8.76925 11.4523 7.92518 11.9824 5.88717 5.27182 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 7.62469 4.9903 8.21247 13.0289 15.2071 8.34145 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 4.80247 10.8339 9.23105 7.89184 3.54989 7.53964 numMergedOcc 0
6 mol 56 unq 1 iso 0 dist 4.80247 7.01089 6.14494 7.89184 3.54989 5.76961 numMergedOcc 0
7 mol 56 unq 2 iso 0 dist 4.80247 7.01089 6.14494 5.91948 4.67834 9.47401 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 5.48997 11.1122 7.50377 11.8375 6.50041 5.7369 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 5.37449 7.15288 9.73179 8.8326 5.34337 9.59729 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 6.39026 7.12458 6.6536 9.90612 8.8974 6.96745 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 8.95432 17.16 9.1854 13.7686 5.47558 9.10671 numMergedOcc 0
12 mol 197 unq 0 iso 0 dist 7.69352 8.55619 7.86042 6.66653 3.35829 6.69042 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 8.27071 5.23547 7.53734 10.2607 10.1222 5.03818 numMergedOcc 0
14 mol 205 unq 1 iso 0 dist 8.27071 5.23547 7.53734 7.84418 10.4922 6.40171 numMergedOcc 0
15 mol 205 unq 2 iso 0 dist 8.63185 9.39472 8.92597 13.519 10.023 5.03818 numMergedOcc 0
16 mol 205 unq 3 iso 0 dist 8.63185 9.39472 8.92597 6.92823 6.22981 6.40171 numMergedOcc 0
17 mol 217 unq 0 iso 0 dist 7.95365 14.0642 8.99484 12.6219 4.76575 9.37602 numMergedOcc 0
18 mol 217 unq 1 iso 0 dist 7.95365 14.0642 8.99484 19.2065 11.715 8.26522 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 5.17916 7.60854 7.99441 7.61739 6.4817 8.14294 numMergedOcc 0
20 mol 222 unq 1 iso 0 dist 5.17916 5.13817 6.71817 7.61739 6.4817 5.72 numMergedOcc 0
21 mol 222 unq 2 iso 0 dist 5.17916 4.54609 8.41524 7.61739 6.4817 6.84052 numMergedOcc 0
22 mol 222 unq 3 iso 0 dist 5.17916 4.54609 8.41524 9.59191 8.05936 9.58086 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 7.0412 13.5014 8.69052 18.8258 12.7959 6.46405 numMergedOcc 0
24 mol 235 unq 0 iso 0 dist 7.30003 7.4921 7.93194 6.50932 3.89748 6.03081 numMergedOcc 0
25 mol 235 unq 1 iso 0 dist 7.30003 7.4921 7.93194 10.0621 5.99438 5.1874 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 7.75366 4.48114 5.52788 5.41453 4.70535 4.66186 numMergedOcc 0
27 mol 243 unq 0 iso 0 dist 8.1195 8.8719 8.89434 11.2064 13.1212 8.30024 numMergedOcc 0
