0 mol 48 unq 0 iso 0 dist 7.78475 7.87476 10.6665 9.04936 13.0492 8.95402 numMergedOcc 0
1 mol 63 unq 0 iso 0 dist 9.22331 9.07614 3.23074 5.44629 5.53589 4.92457 numMergedOcc 0
2 mol 63 unq 1 iso 0 dist 9.22331 9.07614 3.23074 9.11393 10.7246 8.18666 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 7.78223 9.00059 3.67473 11.0397 7.42482 6.4569 numMergedOcc 0
4 mol 141 unq 0 iso 0 dist 7.35385 9.80185 3.80763 12.6656 6.73983 8.88454 numMergedOcc 0
5 mol 141 unq 1 iso 0 dist 7.35385 9.80185 3.80763 14.7644 8.6387 9.48581 numMergedOcc 0
6 mol 141 unq 2 iso 0 dist 8.35864 9.80185 9.98068 12.6656 7.64956 8.88454 numMergedOcc 0
7 mol 141 unq 3 iso 0 dist 8.35864 9.80185 9.98068 14.7644 11.844 9.48581 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 5.11444 8.78397 5.83776 5.77969 5.06613 5.42715 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 5.11444 8.78397 5.83776 12.7307 9.53571 7.34557 numMergedOcc 0
10 mol 156 unq 0 iso 0 dist 9.6281 9.15935 18.3899 8.41671 15.8215 5.22104 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.53805 7.005 5.39534 8.99916 5.45675 8.46395 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 9.53805 7.005 5.39534 5.77691 11.0802 6.08596 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 5.68253 8.33309 3.64991 4.7189 6.00582 6.58003 numMergedOcc 0
14 mol 237 unq 0 iso 0 dist 5.62039 5.12878 3.68966 5.91026 5.06628 7.95072 numMergedOcc 0
15 mol 253 unq 0 iso 0 dist 9.6479 9.137 5.68255 12.0513 8.15091 6.3738 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 5.92532 9.48076 12.1127 8.7465 7.85414 8.78893 numMergedOcc 0
17 mol 277 unq 1 iso 0 dist 5.92532 9.48076 12.1127 11.1293 11.6631 4.61089 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 9.46421 7.83983 4.30125 7.03162 11.9814 8.42359 numMergedOcc 0
