0 mol 7 unq 0 iso 0 dist 8.80895 9.00876 8.24153 8.44333 3.52338 6.15362 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.00876 8.80895 8.24153 8.44333 6.15362 3.52338 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 5.51158 8.13182 4.93841 8.63439 4.10415 3.21805 numMergedOcc 0
3 mol 26 unq 0 iso 1 dist 8.13182 5.51158 4.93841 8.63439 3.21805 4.10415 numMergedOcc 0
4 mol 65 unq 0 iso 0 dist 7.62028 9.61118 15.1521 9.42411 9.27421 9.72356 numMergedOcc 0
5 mol 65 unq 0 iso 1 dist 9.61118 7.62028 15.1521 9.42411 9.72356 9.27421 numMergedOcc 0
6 mol 65 unq 1 iso 0 dist 7.62028 8.72097 14.8298 9.42411 9.27421 13.0357 numMergedOcc 0
7 mol 65 unq 1 iso 1 dist 8.72097 7.62028 14.8298 9.42411 13.0357 9.27421 numMergedOcc 0
8 mol 65 unq 1 iso 0 dist 9.61118 8.72097 6.10531 9.42411 9.72356 13.0357 numMergedOcc 0
9 mol 65 unq 1 iso 1 dist 8.72097 9.61118 6.10531 9.42411 13.0357 9.72356 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 9.79535 7.33521 15.5008 9.57352 14.0189 6.41397 numMergedOcc 0
11 mol 88 unq 0 iso 1 dist 7.33521 9.79535 15.5008 9.57352 6.41397 14.0189 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 4.3761 5.84583 9.29713 5.61418 9.39313 6.66668 numMergedOcc 0
13 mol 98 unq 0 iso 1 dist 5.84583 4.3761 9.29713 5.61418 6.66668 9.39313 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 6.31509 6.14782 4.24815 5.91023 4.48773 3.8493 numMergedOcc 0
15 mol 98 unq 1 iso 1 dist 6.14782 6.31509 4.24815 5.91023 3.8493 4.48773 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 6.31509 8.49806 4.66569 5.91023 4.48773 3.78499 numMergedOcc 0
17 mol 98 unq 2 iso 1 dist 8.49806 6.31509 4.66569 5.91023 3.78499 4.48773 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 6.14782 8.49806 6.55152 5.91023 3.8493 3.78499 numMergedOcc 0
19 mol 98 unq 2 iso 1 dist 8.49806 6.14782 6.55152 5.91023 3.78499 3.8493 numMergedOcc 0
20 mol 168 unq 0 iso 0 dist 8.80094 9.03681 17.0164 8.47439 15.207 10.3454 numMergedOcc 0
21 mol 168 unq 0 iso 1 dist 9.03681 8.80094 17.0164 8.47439 10.3454 15.207 numMergedOcc 0
22 mol 171 unq 0 iso 0 dist 7.7195 9.43988 15.8405 6.80203 11.244 5.58661 numMergedOcc 0
23 mol 171 unq 0 iso 1 dist 9.43988 7.7195 15.8405 6.80203 5.58661 11.244 numMergedOcc 0
24 mol 185 unq 0 iso 0 dist 8.86187 9.27825 5.81461 9.62449 3.15736 5.80135 numMergedOcc 0
25 mol 185 unq 0 iso 1 dist 9.27825 8.86187 5.81461 9.62449 5.80135 3.15736 numMergedOcc 0
26 mol 225 unq 0 iso 0 dist 9.60654 7.11262 10.4457 7.22151 3.90226 6.59432 numMergedOcc 0
27 mol 225 unq 0 iso 1 dist 7.11262 9.60654 10.4457 7.22151 6.59432 3.90226 numMergedOcc 0
28 mol 243 unq 0 iso 0 dist 9.6748 8.71177 8.87623 8.35328 3.79865 8.58943 numMergedOcc 0
29 mol 243 unq 0 iso 1 dist 8.71177 9.6748 8.87623 8.35328 8.58943 3.79865 numMergedOcc 0
30 mol 260 unq 0 iso 0 dist 4.76689 7.26455 5.43735 7.22473 3.48905 7.46252 numMergedOcc 0
31 mol 260 unq 0 iso 1 dist 7.26455 4.76689 5.43735 7.22473 7.46252 3.48905 numMergedOcc 0
32 mol 260 unq 1 iso 0 dist 4.76689 7.26455 5.43735 6.02628 3.43711 7.63469 numMergedOcc 0
33 mol 260 unq 1 iso 1 dist 7.26455 4.76689 5.43735 6.02628 7.63469 3.43711 numMergedOcc 0
