0 mol 9 unq 0 iso 0 dist 7.38017 8.55451 5.53745 5.8245 5.48345 3.58336 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 7.38017 5.8245 5.48345 8.55451 5.53745 3.58336 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.07553 8.09311 6.32709 9.05357 11.6058 9.95274 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 6.07553 9.05357 11.6058 8.09311 6.32709 9.95274 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.48457 8.09311 13.862 9.05357 9.94168 9.95274 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 6.48457 9.05357 9.94168 8.09311 13.862 9.95274 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 5.62694 5.5087 8.97954 6.08682 5.33414 5.30471 numMergedOcc 0
7 mol 73 unq 0 iso 1 dist 5.62694 6.08682 5.33414 5.5087 8.97954 5.30471 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 8.72013 6.85523 14.5311 5.77326 7.35317 8.2592 numMergedOcc 0
9 mol 78 unq 0 iso 1 dist 8.72013 5.77326 7.35317 6.85523 14.5311 8.2592 numMergedOcc 0
10 mol 89 unq 0 iso 0 dist 6.64584 6.53308 4.47717 7.47974 7.41309 7.04263 numMergedOcc 0
11 mol 89 unq 0 iso 1 dist 6.64584 7.47974 7.41309 6.53308 4.47717 7.04263 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 7.69401 9.90751 13.8686 9.21662 15.1364 6.25463 numMergedOcc 0
13 mol 100 unq 0 iso 1 dist 7.69401 9.21662 15.1364 9.90751 13.8686 6.25463 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 6.92671 9.90751 3.50258 9.21662 6.13237 6.25463 numMergedOcc 0
15 mol 100 unq 1 iso 1 dist 6.92671 9.21662 6.13237 9.90751 3.50258 6.25463 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 8.43667 6.29161 4.28346 7.86666 9.50699 7.49425 numMergedOcc 0
17 mol 109 unq 0 iso 1 dist 8.43667 7.86666 9.50699 6.29161 4.28346 7.49425 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 6.85239 7.68266 6.15234 6.84752 5.75062 3.55199 numMergedOcc 0
19 mol 167 unq 0 iso 1 dist 6.85239 6.84752 5.75062 7.68266 6.15234 3.55199 numMergedOcc 0
20 mol 167 unq 1 iso 0 dist 5.72735 7.20495 6.09401 9.2289 6.15234 9.25262 numMergedOcc 0
21 mol 167 unq 1 iso 1 dist 5.72735 9.2289 6.15234 7.20495 6.09401 9.25262 numMergedOcc 0
22 mol 167 unq 2 iso 0 dist 5.72735 7.20495 6.09401 7.02548 5.75062 6.81449 numMergedOcc 0
23 mol 167 unq 2 iso 1 dist 5.72735 7.02548 5.75062 7.20495 6.09401 6.81449 numMergedOcc 0
24 mol 167 unq 2 iso 0 dist 5.72735 9.2289 6.15234 7.02548 5.75062 3.55199 numMergedOcc 0
25 mol 167 unq 2 iso 1 dist 5.72735 7.02548 5.75062 9.2289 6.15234 3.55199 numMergedOcc 0
26 mol 192 unq 0 iso 0 dist 8.63044 9.78634 9.64278 5.64942 10.8255 5.9655 numMergedOcc 0
27 mol 192 unq 0 iso 1 dist 8.63044 5.64942 10.8255 9.78634 9.64278 5.9655 numMergedOcc 0
28 mol 192 unq 1 iso 0 dist 8.63044 9.78634 9.64278 7.43054 12.9782 7.70298 numMergedOcc 0
29 mol 192 unq 1 iso 1 dist 8.63044 7.43054 12.9782 9.78634 9.64278 7.70298 numMergedOcc 0
30 mol 192 unq 1 iso 0 dist 8.63044 5.64942 10.8255 7.43054 12.9782 3.60331 numMergedOcc 0
31 mol 192 unq 1 iso 1 dist 8.63044 7.43054 12.9782 5.64942 10.8255 3.60331 numMergedOcc 0
32 mol 277 unq 0 iso 0 dist 6.64082 9.35539 4.85898 8.9682 14.6245 16.9644 numMergedOcc 0
33 mol 277 unq 0 iso 1 dist 6.64082 8.9682 14.6245 9.35539 4.85898 16.9644 numMergedOcc 0
34 mol 277 unq 1 iso 0 dist 6.64082 9.35539 4.85898 6.92711 13.2277 15.8851 numMergedOcc 0
35 mol 277 unq 1 iso 1 dist 6.64082 6.92711 13.2277 9.35539 4.85898 15.8851 numMergedOcc 0
36 mol 277 unq 1 iso 0 dist 6.64082 8.9682 14.6245 6.92711 13.2277 3.39114 numMergedOcc 0
37 mol 277 unq 1 iso 1 dist 6.64082 6.92711 13.2277 8.9682 14.6245 3.39114 numMergedOcc 0
