0 mol 98 unq 0 iso 0 dist 7.18747 7.11949 12.3572 8.02478 10.1356 12.0313 numMergedOcc 0
1 mol 98 unq 1 iso 0 dist 7.18747 9.05516 14.6409 8.02478 10.1356 14.2716 numMergedOcc 0
2 mol 98 unq 2 iso 0 dist 7.18747 5.56363 12.31 8.02478 10.1356 12.0058 numMergedOcc 0
3 mol 144 unq 0 iso 0 dist 6.60671 7.08779 10.6591 9.26077 4.97681 13.0676 numMergedOcc 0
4 mol 224 unq 0 iso 0 dist 5.90346 8.26029 10.0115 6.28968 5.56344 7.96998 numMergedOcc 0
5 mol 224 unq 1 iso 0 dist 5.90346 8.26029 10.0115 8.22544 7.256 4.78136 numMergedOcc 0
6 mol 224 unq 2 iso 0 dist 6.98203 8.26029 10.9961 6.28968 7.21175 7.96998 numMergedOcc 0
7 mol 224 unq 3 iso 0 dist 6.98203 8.26029 10.9961 8.22544 10.6444 4.78136 numMergedOcc 0
8 mol 224 unq 4 iso 0 dist 6.10135 8.26029 5.99647 6.28968 7.51733 7.96998 numMergedOcc 0
9 mol 224 unq 5 iso 0 dist 6.10135 8.26029 5.99647 8.22544 5.79375 4.78136 numMergedOcc 0
10 mol 250 unq 0 iso 0 dist 7.32757 8.07428 9.47487 8.16442 6.39204 13.1312 numMergedOcc 0
11 mol 259 unq 0 iso 0 dist 5.9202 9.36119 13.3233 8.93244 8.36147 17.7659 numMergedOcc 0
12 mol 267 unq 0 iso 0 dist 8.50392 9.1753 9.54325 8.21258 12.843 7.11419 numMergedOcc 0
13 mol 267 unq 1 iso 0 dist 8.50392 9.1753 9.54325 9.04247 4.91074 7.80033 numMergedOcc 0
14 mol 267 unq 2 iso 0 dist 6.93121 9.1753 12.758 8.21258 13.7223 7.11419 numMergedOcc 0
15 mol 267 unq 3 iso 0 dist 6.93121 9.1753 12.758 9.04247 10.1404 7.80033 numMergedOcc 0
16 mol 272 unq 0 iso 0 dist 8.59707 7.22413 12.809 8.25875 13.0454 6.7514 numMergedOcc 0
17 mol 272 unq 1 iso 0 dist 8.59707 7.22413 12.809 7.45793 8.07198 6.64985 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 9.71781 8.45131 9.97375 8.1644 11.2236 15.4698 numMergedOcc 0
19 mol 287 unq 1 iso 0 dist 9.71781 8.45131 9.97375 9.31742 9.97903 13.9278 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 9.71781 8.45131 9.97375 8.1644 11.2236 15.4698 numMergedOcc 0
21 mol 288 unq 1 iso 0 dist 9.71781 8.45131 9.97375 9.31742 9.97903 13.9278 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 9.71781 8.45131 9.97375 8.1644 11.2236 15.4698 numMergedOcc 0
23 mol 289 unq 1 iso 0 dist 9.71781 8.45131 9.97375 9.31742 9.97903 13.9278 numMergedOcc 0
24 mol 294 unq 0 iso 0 dist 8.30896 8.17645 6.63656 7.96267 11.0565 9.10274 numMergedOcc 0
