0 mol 24 unq 0 iso 0 dist 9.97806 9.67926 6.17726 8.12171 9.61955 11.3676 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.32779 9.67926 6.51016 8.12171 4.89927 11.3676 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.38139 7.77714 5.24524 8.16033 7.16993 9.78936 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 5.12277 6.71884 7.01781 9.3341 6.96815 13.8239 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 8.17327 9.18431 14.2451 5.98441 5.75219 11.3454 numMergedOcc 0
5 mol 91 unq 1 iso 0 dist 8.17327 9.18431 14.2451 5.61819 12.8512 5.20596 numMergedOcc 0
6 mol 91 unq 2 iso 0 dist 9.52936 9.77304 16.1045 5.45873 5.75219 11.5684 numMergedOcc 0
7 mol 91 unq 3 iso 0 dist 9.52936 9.77304 16.1045 6.97995 12.8512 15.1247 numMergedOcc 0
8 mol 108 unq 0 iso 0 dist 9.81705 6.29966 5.53449 8.50992 4.62275 4.70778 numMergedOcc 0
9 mol 108 unq 1 iso 0 dist 6.32309 9.31725 5.53449 9.88259 7.59276 12.5554 numMergedOcc 0
10 mol 108 unq 2 iso 0 dist 6.32309 9.31725 5.53449 8.00008 4.62275 4.70778 numMergedOcc 0
11 mol 108 unq 3 iso 0 dist 8.60437 9.57358 5.53449 7.79698 4.62275 4.70778 numMergedOcc 0
12 mol 108 unq 4 iso 0 dist 5.8711 5.38329 6.97518 7.18748 5.35819 4.70778 numMergedOcc 0
13 mol 108 unq 5 iso 0 dist 5.8711 7.62421 4.62224 7.18748 5.35819 6.76634 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 9.1717 7.97262 13.5181 7.57714 4.46354 10.7454 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 8.8319 7.97262 9.03534 7.57714 6.74216 10.7454 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 5.52744 9.4588 12.1562 7.77211 5.48326 10.7455 numMergedOcc 0
17 mol 196 unq 0 iso 0 dist 9.67795 6.51568 12.7242 6.23981 11.3347 11.0332 numMergedOcc 0
18 mol 196 unq 1 iso 0 dist 9.67795 6.51568 12.7242 5.92441 7.52498 5.61269 numMergedOcc 0
19 mol 247 unq 0 iso 0 dist 6.52457 8.81684 6.67746 8.46644 4.46 8.98161 numMergedOcc 0
20 mol 256 unq 0 iso 0 dist 8.83662 6.07677 5.31424 8.73597 10.3221 5.28199 numMergedOcc 0
