0 mol 19 unq 0 iso 0 dist 8.82056 7.21217 9.69454 15.5478 11.8354 9.50382 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.82056 7.21217 9.69454 11.1585 5.67097 8.76559 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.61711 4.45291 9.81698 11.086 6.92677 8.25984 numMergedOcc 0
3 mol 108 unq 0 iso 0 dist 5.45787 6.97518 7.29462 10.7391 5.60268 9.32474 numMergedOcc 0
4 mol 108 unq 1 iso 0 dist 5.45787 4.62224 5.4057 10.7391 5.60268 8.80334 numMergedOcc 0
5 mol 111 unq 0 iso 0 dist 7.42431 6.48732 8.42147 14.5719 13.3198 8.83191 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 9.96969 4.23705 8.91606 10.1077 10.5162 9.18835 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 7.94863 12.3068 9.91643 12.5296 6.34094 6.94435 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.05674 5.48547 8.84018 13.4646 13.1243 9.07294 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 9.05674 5.48547 8.84018 8.72732 15.9524 7.50126 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 6.53153 6.6767 9.48243 12.3323 11.9436 7.96689 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 6.53153 6.6767 9.48243 15.487 16.3678 9.6582 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 6.00061 4.14546 9.74498 4.95077 7.20811 6.4737 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 7.14849 7.17894 8.0974 14.7249 13.6129 8.14441 numMergedOcc 0
14 mol 178 unq 1 iso 0 dist 8.63718 15.0874 8.0974 20.7726 13.6129 8.14441 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 9.14737 15.3424 8.64255 17.274 8.58314 8.51118 numMergedOcc 0
16 mol 198 unq 0 iso 0 dist 9.98332 13.3321 6.47339 12.2126 4.81051 4.58291 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 6.93717 8.26463 8.48112 12.0733 8.70715 9.17355 numMergedOcc 0
18 mol 220 unq 1 iso 0 dist 6.93717 8.26463 8.48112 13.4572 8.22716 8.5434 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 9.61379 12.6599 6.23882 13.0995 6.87755 7.58998 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 8.47457 5.57 7.39839 13.0969 12.5358 7.62593 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 8.79626 6.25514 7.2346 11.842 10.3775 7.99218 numMergedOcc 0
22 mol 248 unq 0 iso 0 dist 9.5107 10.5215 8.71859 16.6942 9.48478 8.11968 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 5.29682 4.98212 6.77279 13.585 13.6207 8.73077 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 5.29682 4.98212 6.77279 10.549 10.908 6.76656 numMergedOcc 0
25 mol 259 unq 2 iso 0 dist 6.20344 4.98212 9.58006 13.585 16.6797 8.73077 numMergedOcc 0
26 mol 259 unq 3 iso 0 dist 6.20344 4.98212 9.58006 10.549 12.7595 6.76656 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 9.64889 6.7593 6.90434 12.5202 7.44724 6.23539 numMergedOcc 0
