0 mol 9 unq 0 iso 0 dist 7.4982 10.5873 6.17406 9.41073 7.84694 3.91893 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 7.4982 11.7145 8.64753 9.41073 7.84694 4.94281 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 8.97809 5.72486 8.42803 9.47029 9.72104 7.24491 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 6.62049 11.2862 9.81484 14.1886 8.38104 8.93569 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 6.62049 10.5888 5.77527 14.1886 8.38104 3.98877 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 6.62049 10.2369 7.313 14.1886 8.38104 8.90513 numMergedOcc 0
6 mol 162 unq 0 iso 0 dist 7.81287 10.3125 8.01723 4.8885 9.39575 9.75769 numMergedOcc 0
7 mol 162 unq 1 iso 0 dist 7.81287 6.15539 8.81613 4.8885 9.39575 4.2048 numMergedOcc 0
8 mol 169 unq 0 iso 0 dist 7.57794 16.106 8.80569 4.68959 6.23277 13.1539 numMergedOcc 0
9 mol 169 unq 1 iso 0 dist 7.57794 16.106 8.80569 5.99532 4.68818 11.6489 numMergedOcc 0
10 mol 169 unq 2 iso 0 dist 5.63601 11.5609 8.28207 3.7498 7.47708 11.1464 numMergedOcc 0
11 mol 169 unq 3 iso 0 dist 5.63601 12.4099 8.37345 3.7498 7.47708 11.6489 numMergedOcc 0
12 mol 169 unq 4 iso 0 dist 5.23034 12.4099 8.80569 7.06519 6.23277 13.1539 numMergedOcc 0
13 mol 169 unq 5 iso 0 dist 5.23034 12.4099 8.80569 3.7498 4.68818 11.6489 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 8.40571 6.36363 8.3341 8.33091 8.5078 12.5391 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 8.40571 6.31852 9.04508 8.33091 8.5078 13.4014 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 7.19514 14.4456 7.83637 5.93103 7.97079 14.0734 numMergedOcc 0
17 mol 225 unq 1 iso 0 dist 7.19514 14.4456 7.83637 8.04563 9.52588 12.6176 numMergedOcc 0
18 mol 225 unq 2 iso 0 dist 7.19514 14.4456 7.83637 5.1989 5.07766 12.192 numMergedOcc 0
19 mol 225 unq 3 iso 0 dist 7.35466 4.10349 7.83637 11.3798 9.52588 12.6176 numMergedOcc 0
20 mol 225 unq 4 iso 0 dist 7.35466 4.10349 7.83637 10.2872 5.07766 12.192 numMergedOcc 0
21 mol 225 unq 5 iso 0 dist 7.35466 4.10349 7.83637 11.2847 7.97079 14.0734 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 7.4534 8.97539 6.85567 8.67549 5.4353 12.0915 numMergedOcc 0
23 mol 270 unq 0 iso 0 dist 9.91041 15.8208 8.93707 7.72319 7.37835 9.56946 numMergedOcc 0
24 mol 270 unq 1 iso 0 dist 9.91041 15.8208 8.93707 11.6435 4.62449 6.72549 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 9.47828 9.03116 8.93031 9.78655 7.51198 4.36814 numMergedOcc 0
