0 mol 7 unq 0 iso 0 dist 6.36911 6.81066 5.28535 9.87885 7.92429 8.80913 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.47421 7.38017 6.21879 8.55451 5.66192 5.53745 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 8.47421 7.38017 6.21879 5.8245 3.91075 5.48345 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 6.77912 4.69674 9.58779 7.12321 9.88768 6.75732 numMergedOcc 0
4 mol 74 unq 0 iso 0 dist 8.96501 7.53878 9.7556 7.93281 5.38404 5.54995 numMergedOcc 0
5 mol 127 unq 0 iso 0 dist 6.63981 9.50837 8.10285 7.79505 6.15949 12.7979 numMergedOcc 0
6 mol 127 unq 1 iso 0 dist 6.63981 8.17522 6.16606 7.79505 6.15949 5.83338 numMergedOcc 0
7 mol 132 unq 0 iso 0 dist 6.03703 5.36351 9.99932 6.89918 6.545 9.21982 numMergedOcc 0
8 mol 167 unq 0 iso 0 dist 8.62646 5.72735 4.34476 7.20495 4.15547 6.09401 numMergedOcc 0
9 mol 167 unq 1 iso 0 dist 8.62646 5.72735 4.34476 9.2289 7.0046 6.15234 numMergedOcc 0
10 mol 167 unq 2 iso 0 dist 8.62646 5.72735 4.34476 7.02548 6.24722 5.75062 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 9.52634 6.62757 14.6281 9.63417 4.14392 13.041 numMergedOcc 0
12 mol 175 unq 1 iso 0 dist 9.52634 9.36354 9.23083 9.63417 4.14392 5.71279 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 8.36822 8.63044 7.31685 9.78634 10.3099 9.64278 numMergedOcc 0
14 mol 192 unq 1 iso 0 dist 8.36822 8.63044 7.31685 5.64942 10.1087 10.8255 numMergedOcc 0
15 mol 192 unq 2 iso 0 dist 8.36822 8.63044 7.31685 7.43054 10.0566 12.9782 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 9.19704 7.23959 10.0576 6.52816 13.4094 5.19623 numMergedOcc 0
17 mol 219 unq 0 iso 0 dist 4.87541 7.68645 9.7667 4.33238 3.78261 6.08582 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 9.41725 6.64082 6.25097 9.35539 7.07508 4.85898 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 9.41725 6.64082 6.25097 8.9682 18.3854 14.6245 numMergedOcc 0
20 mol 277 unq 2 iso 0 dist 9.41725 6.64082 6.25097 6.92711 16.1088 13.2277 numMergedOcc 0
