0 mol 6 unq 0 iso 0 dist 8.01937 10.2062 7.12528 16.7824 14.0125 9.0451 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 8.61226 6.57029 7.3557 12.3376 7.5925 8.98564 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 6.79739 5.32207 7.3557 10.3407 7.5925 8.98564 numMergedOcc 0
3 mol 30 unq 2 iso 0 dist 5.90481 5.03442 7.3557 6.30807 7.5925 8.98564 numMergedOcc 0
4 mol 30 unq 3 iso 0 dist 6.30807 5.03442 8.98564 5.90481 7.5925 7.3557 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 9.16551 5.02755 5.84744 12.2785 6.85995 7.61923 numMergedOcc 0
6 mol 44 unq 1 iso 0 dist 9.16551 5.02755 5.84744 9.88278 4.19085 5.11941 numMergedOcc 0
7 mol 44 unq 2 iso 0 dist 9.16551 5.02755 5.84744 10.9031 5.46286 7.7864 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 4.87397 5.51402 7.31989 10.6934 7.27494 9.62411 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 8.61468 7.18645 7.32064 6.27186 3.93133 4.62314 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 8.61468 6.85342 5.24136 6.27186 3.93133 4.41745 numMergedOcc 0
11 mol 78 unq 2 iso 0 dist 8.61468 12.613 5.85007 6.27186 3.93133 6.35234 numMergedOcc 0
12 mol 78 unq 3 iso 0 dist 6.27186 7.18645 4.62314 8.61468 3.93133 7.32064 numMergedOcc 0
13 mol 78 unq 4 iso 0 dist 6.27186 6.85342 4.41745 8.61468 3.93133 5.24136 numMergedOcc 0
14 mol 78 unq 5 iso 0 dist 6.27186 12.613 6.35234 8.61468 3.93133 5.85007 numMergedOcc 0
15 mol 108 unq 0 iso 0 dist 8.69068 8.58741 9.14068 13.5097 7.80411 7.90433 numMergedOcc 0
16 mol 108 unq 1 iso 0 dist 8.89997 3.94147 7.90433 10.9542 7.80411 9.14068 numMergedOcc 0
17 mol 113 unq 0 iso 0 dist 8.28452 7.05148 6.12348 13.3163 11.0841 7.2672 numMergedOcc 0
18 mol 113 unq 1 iso 0 dist 8.44004 13.2701 6.12348 19.4235 11.0841 7.2672 numMergedOcc 0
19 mol 128 unq 0 iso 0 dist 8.98367 6.79263 9.45412 13.5476 10.0842 7.95999 numMergedOcc 0
20 mol 128 unq 1 iso 0 dist 8.54297 10.6485 7.11781 17.6549 14.512 9.67042 numMergedOcc 0
21 mol 128 unq 2 iso 0 dist 8.54297 10.6485 7.11781 17.7475 12.9166 9.01072 numMergedOcc 0
22 mol 128 unq 3 iso 0 dist 8.54297 10.6485 7.11781 12.6527 8.7293 8.77539 numMergedOcc 0
23 mol 169 unq 0 iso 0 dist 8.56204 7.26442 6.27683 13.6816 11.0771 7.1757 numMergedOcc 0
24 mol 233 unq 0 iso 0 dist 9.49046 11.3928 7.1229 16.2748 10.3006 9.55705 numMergedOcc 0
25 mol 233 unq 1 iso 0 dist 7.24533 3.67394 7.1229 12.8354 10.3006 9.55705 numMergedOcc 0
