0 mol 32 unq 0 iso 0 dist 8.65462 6.35945 10.2167 4.72799 7.88576 7.48825 numMergedOcc 0
1 mol 65 unq 0 iso 0 dist 7.62028 9.52322 13.5964 4.27476 10.6224 8.88479 numMergedOcc 0
2 mol 65 unq 1 iso 0 dist 9.61118 9.52322 4.67673 4.27476 6.97879 8.88479 numMergedOcc 0
3 mol 65 unq 2 iso 0 dist 8.72097 9.52322 5.26288 4.27476 8.56202 8.88479 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.76383 5.667 4.42702 6.10692 11.726 9.46312 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 7.66459 9.97598 7.10144 5.45426 6.98838 7.71582 numMergedOcc 0
6 mol 94 unq 0 iso 0 dist 8.30482 9.09071 4.4432 14.1272 11.5929 7.38914 numMergedOcc 0
7 mol 94 unq 1 iso 0 dist 8.30482 9.09071 4.4432 10.146 10.2914 7.0529 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 5.99873 8.50045 8.32999 13.5627 14.9408 9.86739 numMergedOcc 0
9 mol 114 unq 1 iso 0 dist 5.99873 8.50045 8.32999 14.1282 16.206 8.39249 numMergedOcc 0
10 mol 114 unq 2 iso 0 dist 5.99873 8.50045 8.32999 6.69079 11.8658 8.93623 numMergedOcc 0
11 mol 114 unq 3 iso 0 dist 5.99873 9.31512 12.7899 4.51826 10.4822 8.87941 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 6.4822 9.23448 7.03121 8.33942 11.1454 8.55681 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 8.55237 8.82363 10.089 10.6383 12.177 8.55681 numMergedOcc 0
14 mol 141 unq 2 iso 0 dist 8.55237 8.82363 10.089 5.29975 11.5296 6.2135 numMergedOcc 0
15 mol 141 unq 3 iso 0 dist 7.80661 5.76702 10.089 5.93604 12.177 8.55681 numMergedOcc 0
16 mol 141 unq 4 iso 0 dist 7.80661 5.76702 10.089 6.38237 11.5296 6.2135 numMergedOcc 0
17 mol 187 unq 0 iso 0 dist 8.45366 6.00248 5.94354 4.71837 8.26654 7.01496 numMergedOcc 0
18 mol 233 unq 0 iso 0 dist 7.09902 9.13657 5.3674 12.8565 13.7617 9.2911 numMergedOcc 0
19 mol 234 unq 0 iso 0 dist 5.67249 5.99388 4.21173 5.04225 10.1461 8.49841 numMergedOcc 0
20 mol 243 unq 0 iso 0 dist 6.5095 9.8043 12.428 5.32118 11.7029 9.1101 numMergedOcc 0
21 mol 243 unq 1 iso 0 dist 6.5095 9.8043 12.428 11.4546 16.1722 8.93338 numMergedOcc 0
22 mol 243 unq 2 iso 0 dist 5.1766 9.8043 7.69259 5.32118 7.77265 9.1101 numMergedOcc 0
23 mol 243 unq 3 iso 0 dist 5.1766 9.8043 7.69259 11.4546 9.65322 8.93338 numMergedOcc 0
24 mol 270 unq 0 iso 0 dist 4.60602 9.4555 12.734 9.0548 13.1372 6.79822 numMergedOcc 0
25 mol 270 unq 1 iso 0 dist 4.60602 9.4555 12.734 11.3548 13.2812 9.17227 numMergedOcc 0
26 mol 270 unq 2 iso 0 dist 6.62637 9.94203 12.734 9.28469 13.1372 6.79822 numMergedOcc 0
27 mol 270 unq 3 iso 0 dist 6.62637 9.94203 12.734 6.83592 13.2812 9.17227 numMergedOcc 0
