0 mol 59 unq 0 iso 0 dist 8.30217 14.9359 7.92479 10.436 3.68327 9.43355 19.7536 13.5062 8.67634 13.144 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 8.30217 14.9359 7.92479 22.8464 15.3578 7.9327 19.7536 13.5062 8.67634 9.37875 numMergedOcc 0
2 mol 113 unq 0 iso 0 dist 8.99912 8.69934 5.45882 12.4163 11.746 7.33541 11.6298 8.39067 5.29949 11.0969 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 9.93438 8.88748 7.93956 6.84011 5.99273 5.79343 10.2365 8.25866 5.51885 4.08391 numMergedOcc 0
4 mol 143 unq 0 iso 0 dist 8.99891 5.44503 8.08798 9.14266 4.5497 9.30424 7.36975 14.4074 8.18023 13.1214 numMergedOcc 0
5 mol 143 unq 1 iso 0 dist 8.99891 5.44503 8.08798 9.14266 4.5497 9.30424 5.40637 5.94217 7.46803 4.06908 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 8.29467 6.7991 6.91878 5.94469 3.63671 7.05653 6.64173 5.09584 9.09234 4.98436 numMergedOcc 0
7 mol 181 unq 1 iso 0 dist 8.29467 6.7991 6.91878 5.94469 3.63671 7.05653 9.01624 11.4645 6.76746 11.9796 numMergedOcc 0
8 mol 181 unq 2 iso 0 dist 8.29467 6.7991 6.91878 5.94469 3.63671 7.05653 9.55105 11.5807 8.92098 12.3589 numMergedOcc 0
9 mol 237 unq 0 iso 0 dist 9.7255 6.56344 8.33629 7.41478 4.50383 5.98039 11.0148 5.88058 7.12731 4.08768 numMergedOcc 0
10 mol 237 unq 1 iso 0 dist 9.7255 6.56344 8.33629 10.985 9.41259 9.48932 11.0148 5.88058 7.12731 5.64112 numMergedOcc 0
11 mol 287 unq 0 iso 0 dist 9.18744 4.62998 7.77225 8.91712 3.96271 5.59555 13.0848 9.67163 8.59762 5.97664 numMergedOcc 0
12 mol 287 unq 1 iso 0 dist 5.30118 7.23534 5.50067 9.65934 5.39801 5.59555 7.45616 3.66473 8.59762 5.97664 numMergedOcc 0
13 mol 287 unq 2 iso 0 dist 8.98698 11.7115 5.50067 14.0537 5.39801 5.59555 10.4299 3.66473 8.59762 5.97664 numMergedOcc 0
14 mol 288 unq 0 iso 0 dist 9.18744 4.62998 7.77225 8.91712 3.96271 5.59555 13.0848 9.67163 8.59762 5.97664 numMergedOcc 0
15 mol 288 unq 1 iso 0 dist 5.30118 7.23534 5.50067 9.65934 5.39801 5.59555 7.45616 3.66473 8.59762 5.97664 numMergedOcc 0
16 mol 288 unq 2 iso 0 dist 8.98698 11.7115 5.50067 14.0537 5.39801 5.59555 10.4299 3.66473 8.59762 5.97664 numMergedOcc 0
17 mol 289 unq 0 iso 0 dist 9.18744 4.62998 7.77225 8.91712 3.96271 5.59555 13.0848 9.67163 8.59762 5.97664 numMergedOcc 0
18 mol 289 unq 1 iso 0 dist 5.30118 7.23534 5.50067 9.65934 5.39801 5.59555 7.45616 3.66473 8.59762 5.97664 numMergedOcc 0
19 mol 289 unq 2 iso 0 dist 8.98698 11.7115 5.50067 14.0537 5.39801 5.59555 10.4299 3.66473 8.59762 5.97664 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 9.96374 12.1551 3.93401 14.0184 4.30125 5.7131 14.4052 5.36842 6.1905 3.92782 numMergedOcc 0
21 mol 292 unq 1 iso 0 dist 9.96374 12.1551 3.93401 14.0184 4.30125 5.7131 9.46442 3.08474 5.84792 5.93687 numMergedOcc 0
22 mol 292 unq 2 iso 0 dist 9.96374 12.1551 3.93401 14.0184 4.30125 5.7131 7.30758 6.12546 8.73515 9.40023 numMergedOcc 0
