0 mol 20 unq 0 iso 0 dist 9.4228 8.96335 8.67928 4.95725 6.29237 10.5097 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.4228 8.96335 8.67928 5.84217 9.24286 12.7656 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 8.94936 10.2077 9.02912 6.37468 6.34665 8.16431 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 9.27081 9.4211 7.8729 11.2681 9.99577 16.167 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 9.27081 9.4211 7.8729 9.83759 8.40203 8.21763 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 8.62727 10.7058 9.72919 8.39998 8.73798 2.81599 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 9.18809 10.0743 9.59959 7.50975 6.33905 5.75753 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 9.18809 6.20057 9.33762 7.50975 6.33905 5.26311 numMergedOcc 0
8 mol 81 unq 0 iso 0 dist 7.19581 4.83521 6.39879 7.50394 9.08333 11.342 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 9.61935 15.907 9.44289 7.35297 5.97918 10.6223 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 5.82487 9.76608 5.9758 8.1057 6.41507 5.42524 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 5.82487 9.76608 5.9758 8.01602 6.03035 8.74879 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.20715 10.9441 7.84768 6.20019 4.22806 5.37917 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 6.16081 6.42402 7.84768 4.39676 4.22806 5.37917 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 8.75049 14.8102 8.966 13.7612 5.47256 6.24625 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 9.83935 11.7429 7.81069 11.0961 7.54492 4.03697 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 5.62219 5.85636 8.37183 11.3763 8.96211 12.2656 numMergedOcc 0
17 mol 210 unq 1 iso 0 dist 5.62219 7.67559 6.6588 11.3763 8.96211 3.93305 numMergedOcc 0
18 mol 282 unq 0 iso 0 dist 9.15503 6.46616 9.87988 10.7217 9.48877 13.2313 numMergedOcc 0
19 mol 283 unq 0 iso 0 dist 8.25636 5.72887 7.36223 9.63618 8.47034 11.2019 numMergedOcc 0
20 mol 283 unq 1 iso 0 dist 8.25636 5.72887 7.36223 9.82243 8.57491 5.33386 numMergedOcc 0
