0 mol 68 unq 0 iso 0 dist 8.04256 10.9344 7.51075 7.21365 7.39665 6.56256 numMergedOcc 0
1 mol 68 unq 0 iso 1 dist 7.51075 10.9344 8.04256 6.56256 7.39665 7.21365 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.06168 11.1443 8.67532 13.9003 8.72682 17.2466 numMergedOcc 0
3 mol 73 unq 0 iso 1 dist 8.67532 11.1443 8.06168 17.2466 8.72682 13.9003 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.06168 11.1443 8.67532 8.88868 6.45841 10.2047 numMergedOcc 0
5 mol 73 unq 1 iso 1 dist 8.67532 11.1443 8.06168 10.2047 6.45841 8.88868 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 8.06168 11.1443 8.67532 10.8798 5.61588 10.8441 numMergedOcc 0
7 mol 73 unq 2 iso 1 dist 8.67532 11.1443 8.06168 10.8441 5.61588 10.8798 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 8.06168 11.1443 8.67532 13.7267 7.83244 15.2203 numMergedOcc 0
9 mol 73 unq 3 iso 1 dist 8.67532 11.1443 8.06168 15.2203 7.83244 13.7267 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 9.71952 3.94577 7.28257 6.69911 8.13108 3.94216 numMergedOcc 0
11 mol 76 unq 0 iso 1 dist 7.28257 3.94577 9.71952 3.94216 8.13108 6.69911 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 8.09199 8.17321 7.47794 5.37642 9.13322 12.1618 numMergedOcc 0
13 mol 76 unq 1 iso 1 dist 7.47794 8.17321 8.09199 12.1618 9.13322 5.37642 numMergedOcc 0
14 mol 86 unq 0 iso 0 dist 8.88225 7.3718 9.49308 6.62266 7.90423 3.88769 numMergedOcc 0
15 mol 86 unq 0 iso 1 dist 9.49308 7.3718 8.88225 3.88769 7.90423 6.62266 numMergedOcc 0
16 mol 88 unq 0 iso 0 dist 9.72689 14.8895 7.74197 10.0429 7.80898 11.151 numMergedOcc 0
17 mol 88 unq 0 iso 1 dist 7.74197 14.8895 9.72689 11.151 7.80898 10.0429 numMergedOcc 0
18 mol 117 unq 0 iso 0 dist 6.90827 5.70541 8.90977 5.61881 8.84018 9.58747 numMergedOcc 0
19 mol 117 unq 0 iso 1 dist 8.90977 5.70541 6.90827 9.58747 8.84018 5.61881 numMergedOcc 0
20 mol 122 unq 0 iso 0 dist 6.78949 9.50688 9.40018 4.78332 6.00603 12.4857 numMergedOcc 0
21 mol 122 unq 0 iso 1 dist 9.40018 9.50688 6.78949 12.4857 6.00603 4.78332 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 9.92932 6.22325 9.55556 3.76211 7.21868 4.63732 numMergedOcc 0
23 mol 134 unq 0 iso 1 dist 9.55556 6.22325 9.92932 4.63732 7.21868 3.76211 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 9.51764 13.4632 5.36829 14.8375 7.46481 5.47184 numMergedOcc 0
25 mol 214 unq 0 iso 1 dist 5.36829 13.4632 9.51764 5.47184 7.46481 14.8375 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 9.77689 13.7559 8.51931 17.8399 9.57499 6.17642 numMergedOcc 0
27 mol 277 unq 0 iso 1 dist 8.51931 13.7559 9.77689 6.17642 9.57499 17.8399 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 9.6898 13.4368 5.75596 18.4042 9.9182 6.65781 numMergedOcc 0
29 mol 292 unq 0 iso 1 dist 5.75596 13.4368 9.6898 6.65781 9.9182 18.4042 numMergedOcc 0
30 mol 292 unq 1 iso 0 dist 9.6898 13.4368 5.75596 14.5738 8.9221 4.00064 numMergedOcc 0
31 mol 292 unq 1 iso 1 dist 5.75596 13.4368 9.6898 4.00064 8.9221 14.5738 numMergedOcc 0
32 mol 292 unq 2 iso 0 dist 9.20416 10.0257 7.53641 8.88312 7.20674 10.0594 numMergedOcc 0
33 mol 292 unq 2 iso 1 dist 7.53641 10.0257 9.20416 10.0594 7.20674 8.88312 numMergedOcc 0
34 mol 292 unq 3 iso 0 dist 9.20416 10.0257 7.53641 12.3704 8.38121 15.5666 numMergedOcc 0
35 mol 292 unq 3 iso 1 dist 7.53641 10.0257 9.20416 15.5666 8.38121 12.3704 numMergedOcc 0
