0 mol 25 unq 0 iso 0 dist 9.10473 4.88903 9.33067 13.7275 7.52933 12.2556 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 5.36413 4.46139 7.6477 5.17518 6.07517 4.43881 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 5.36413 4.46139 7.6477 7.18789 6.74179 9.17153 numMergedOcc 0
3 mol 30 unq 2 iso 0 dist 9.30604 8.96241 7.6477 7.11245 6.07517 4.43881 numMergedOcc 0
4 mol 30 unq 3 iso 0 dist 9.30604 8.96241 7.6477 5.05661 6.74179 9.17153 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 9.23033 10.6411 8.21247 6.6796 6.6263 5.39546 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 9.23033 10.6411 8.21247 10.2523 6.75943 12.2906 numMergedOcc 0
7 mol 53 unq 0 iso 0 dist 9.31516 12.6452 5.63499 14.9509 7.28228 5.55291 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 9.58666 14.4523 6.6536 6.64056 7.7988 10.8268 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 9.58666 14.4523 6.6536 6.29647 9.40824 11.179 numMergedOcc 0
10 mol 112 unq 2 iso 0 dist 9.58666 14.4523 6.6536 9.6717 4.22363 4.87668 numMergedOcc 0
11 mol 170 unq 0 iso 0 dist 8.95292 15.6007 9.66676 8.83341 9.08274 11.4871 numMergedOcc 0
12 mol 170 unq 1 iso 0 dist 8.95292 15.6007 9.66676 11.2005 9.51256 6.45787 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 8.38813 12.9434 9.65132 9.92743 8.75536 7.34507 numMergedOcc 0
14 mol 218 unq 1 iso 0 dist 8.38813 12.9434 9.65132 12.0573 7.33709 4.79566 numMergedOcc 0
15 mol 218 unq 2 iso 0 dist 8.38813 12.9434 9.65132 8.31343 6.67404 4.68974 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 5.07975 10.4672 7.99441 5.66819 5.56538 9.84386 numMergedOcc 0
17 mol 222 unq 1 iso 0 dist 4.85015 10.4672 6.71817 5.66819 7.48954 9.84386 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 8.83742 5.2011 8.565 10.9485 8.08349 6.57808 numMergedOcc 0
19 mol 224 unq 1 iso 0 dist 8.83742 5.2011 8.565 5.52688 9.78218 6.64754 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 7.69491 16.88 9.993 5.29737 6.73665 13.3838 numMergedOcc 0
21 mol 239 unq 1 iso 0 dist 7.69491 16.88 9.993 10.9704 9.34438 16.5315 numMergedOcc 0
22 mol 239 unq 2 iso 0 dist 7.69491 16.88 9.993 12.551 9.35949 10.3956 numMergedOcc 0
23 mol 239 unq 3 iso 0 dist 6.64008 14.2079 9.993 11.4465 6.73665 13.3838 numMergedOcc 0
24 mol 239 unq 4 iso 0 dist 6.64008 14.2079 9.993 5.08687 9.34438 16.5315 numMergedOcc 0
25 mol 239 unq 5 iso 0 dist 6.64008 14.2079 9.993 12.4215 9.35949 10.3956 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 8.9352 7.78018 8.34313 5.34376 6.35028 4.51031 numMergedOcc 0
27 mol 279 unq 1 iso 0 dist 5.8845 5.38411 8.34313 5.86731 6.35028 4.51031 numMergedOcc 0
