0 mol 43 unq 0 iso 0 dist 9.16827 7.23774 5.73819 12.092 6.20293 5.06502 5.19462 5.07458 6.66407 10.0168 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.16827 7.23774 5.73819 10.7423 8.93915 5.89973 5.19462 5.07458 6.66407 10.9975 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 8.52969 11.6772 6.81627 9.0406 7.32874 5.47421 13.6379 5.61579 5.38524 8.69057 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 8.52969 11.6772 6.81627 4.98107 9.55426 9.7274 13.6379 5.61579 5.38524 13.1897 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 8.52969 9.0406 7.32874 11.6772 6.81627 5.47421 13.6379 5.61579 8.69057 5.38524 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 8.52969 9.0406 7.32874 4.98107 9.55426 5.90225 13.6379 5.61579 8.69057 13.1897 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 5.89394 6.80709 7.4729 6.20561 6.82344 8.95922 8.3435 4.46885 8.3773 11.1432 numMergedOcc 0
7 mol 117 unq 0 iso 0 dist 9.41387 9.3855 7.90328 6.54872 9.84395 13.1058 15.361 7.20875 8.84018 16.804 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 9.79448 6.02237 9.30299 7.78467 8.14887 7.30196 11.9156 12.8087 6.08673 12.1234 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 6.99089 12.6542 6.49416 10.1742 6.54501 5.00526 18.3099 12.3479 9.33094 11.2896 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 9.25528 18.2027 9.1374 11.4901 5.98885 8.88798 20.479 12.9532 9.76212 13.2783 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 9.25528 18.2027 9.1374 11.9545 9.15386 12.1628 20.479 12.9532 9.76212 18.2853 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 8.03567 8.339 7.54065 8.18892 9.70748 13.8792 11.4341 11.0961 6.61112 18.4751 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 8.03567 8.339 7.54065 12.2966 8.87694 5.74635 11.4341 11.0961 6.61112 11.456 numMergedOcc 0
14 mol 192 unq 0 iso 0 dist 9.05666 5.64431 5.59424 10.8223 7.00794 5.76246 12.6758 9.53265 9.78634 12.8149 numMergedOcc 0
15 mol 192 unq 1 iso 0 dist 9.05666 5.64431 5.59424 10.8223 7.00794 5.76246 10.6433 6.35474 5.64942 6.97962 numMergedOcc 0
16 mol 192 unq 2 iso 0 dist 9.05666 5.64431 5.59424 10.8223 7.00794 5.76246 12.515 5.25965 7.43054 6.79229 numMergedOcc 0
17 mol 192 unq 3 iso 0 dist 9.05666 10.8223 7.00794 5.64431 5.59424 5.76246 10.6433 6.35474 6.97962 5.64942 numMergedOcc 0
18 mol 192 unq 4 iso 0 dist 9.05666 10.8223 7.00794 5.64431 5.59424 5.76246 12.515 5.25965 6.79229 7.43054 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 7.69537 5.41675 6.61986 5.92906 9.40098 9.54151 10.9012 5.13732 8.08349 11.2501 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 9.2521 10.1821 7.31233 12.8083 6.22714 5.34096 17.3504 10.3162 9.12776 8.69015 numMergedOcc 0
21 mol 252 unq 0 iso 0 dist 9.78185 6.79692 7.19638 17.5012 8.33025 14.9102 12.811 7.40852 7.15764 13.1298 numMergedOcc 0
22 mol 252 unq 1 iso 0 dist 9.78185 6.79692 7.19638 16.8096 9.2288 11.7918 12.811 7.40852 7.15764 10.5687 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 6.49599 14.1932 8.13497 13.8605 7.88519 4.69778 14.6176 8.8603 9.07743 7.66153 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 6.49599 13.8605 7.88519 14.1932 8.13497 4.69778 8.96256 7.20604 9.63573 12.8229 numMergedOcc 0
25 mol 259 unq 2 iso 0 dist 6.49599 13.8605 7.88519 14.1932 8.13497 4.69778 14.6176 8.8603 7.66153 9.07743 numMergedOcc 0
