0 mol 75 unq 0 iso 0 dist 7.118 8.24814 5.64643 5.06305 7.79912 8.56639 numMergedOcc 0
1 mol 75 unq 0 iso 1 dist 8.24814 7.118 5.64643 5.06305 8.56639 7.79912 numMergedOcc 0
2 mol 115 unq 0 iso 0 dist 7.44784 9.56867 11.5723 7.64822 7.30858 7.88312 numMergedOcc 0
3 mol 115 unq 0 iso 1 dist 9.56867 7.44784 11.5723 7.64822 7.88312 7.30858 numMergedOcc 0
4 mol 127 unq 0 iso 0 dist 6.65963 8.62711 7.30196 10.345 8.14887 9.30299 numMergedOcc 0
5 mol 127 unq 0 iso 1 dist 8.62711 6.65963 7.30196 10.345 9.30299 8.14887 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 5.67862 7.97208 5.00817 9.52819 6.37586 6.49416 numMergedOcc 0
7 mol 134 unq 0 iso 1 dist 7.97208 5.67862 5.00817 9.52819 6.49416 6.37586 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 6.73365 9.45659 5.35493 5.73338 5.6234 6.57069 numMergedOcc 0
9 mol 175 unq 0 iso 1 dist 9.45659 6.73365 5.35493 5.73338 6.57069 5.6234 numMergedOcc 0
10 mol 236 unq 0 iso 0 dist 9.97357 6.36941 7.28249 8.3919 8.03456 9.81562 numMergedOcc 0
11 mol 236 unq 0 iso 1 dist 6.36941 9.97357 7.28249 8.3919 9.81562 8.03456 numMergedOcc 0
12 mol 236 unq 1 iso 0 dist 9.97357 6.36941 7.28249 4.88785 6.84306 7.68742 numMergedOcc 0
13 mol 236 unq 1 iso 1 dist 6.36941 9.97357 7.28249 4.88785 7.68742 6.84306 numMergedOcc 0
14 mol 236 unq 2 iso 0 dist 9.97357 6.36941 7.28249 10.2557 9.99038 6.27581 numMergedOcc 0
15 mol 236 unq 2 iso 1 dist 6.36941 9.97357 7.28249 10.2557 6.27581 9.99038 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 7.80525 7.71295 7.25988 4.84708 7.32223 8.31064 numMergedOcc 0
17 mol 253 unq 0 iso 1 dist 7.71295 7.80525 7.25988 4.84708 8.31064 7.32223 numMergedOcc 0
18 mol 261 unq 0 iso 0 dist 7.15785 9.43169 5.51688 6.5875 8.02547 6.05727 numMergedOcc 0
19 mol 261 unq 0 iso 1 dist 9.43169 7.15785 5.51688 6.5875 6.05727 8.02547 numMergedOcc 0
20 mol 272 unq 0 iso 0 dist 4.78812 6.62923 5.40809 5.27123 8.33638 8.46116 numMergedOcc 0
21 mol 272 unq 0 iso 1 dist 6.62923 4.78812 5.40809 5.27123 8.46116 8.33638 numMergedOcc 0
22 mol 282 unq 0 iso 0 dist 6.84554 9.51581 4.66602 9.67023 8.76532 6.33524 numMergedOcc 0
23 mol 282 unq 0 iso 1 dist 9.51581 6.84554 4.66602 9.67023 6.33524 8.76532 numMergedOcc 0
