0 mol 7 unq 0 iso 0 dist 5.72491 8.72114 10.1959 11.8172 14.9635 6.02702 4.87279 7.12105 6.04832 10.5551 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 7.05346 7.32257 8.88528 6.14147 10.5699 6.55811 4.86982 7.51584 6.17406 9.10873 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.05346 7.32257 8.88528 6.14147 10.5699 6.55811 5.72062 11.618 7.2707 7.6565 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 7.05346 7.32257 8.88528 10.5747 12.6235 8.64915 4.86982 7.51584 6.17406 13.1204 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 7.05346 7.32257 8.88528 10.5747 12.6235 8.64915 5.72062 11.618 7.2707 12.3746 numMergedOcc 0
5 mol 9 unq 4 iso 0 dist 7.9944 6.55811 4.58685 6.14147 10.8213 7.32257 9.10873 10.5538 6.17406 4.86982 numMergedOcc 0
6 mol 9 unq 5 iso 0 dist 7.9944 6.55811 4.58685 6.14147 10.8213 7.32257 7.6565 11.5421 7.2707 5.72062 numMergedOcc 0
7 mol 9 unq 6 iso 0 dist 7.9944 6.55811 4.58685 5.06358 7.032 8.64915 9.10873 10.5538 6.17406 13.1204 numMergedOcc 0
8 mol 9 unq 7 iso 0 dist 7.9944 6.55811 4.58685 5.06358 7.032 8.64915 7.6565 11.5421 7.2707 12.3746 numMergedOcc 0
9 mol 9 unq 8 iso 0 dist 7.9944 7.36018 5.83039 5.06358 7.032 8.17347 7.6565 11.5421 8.99816 12.3746 numMergedOcc 0
10 mol 9 unq 9 iso 0 dist 7.032 8.64915 4.58685 10.5747 10.8213 7.32257 13.1204 10.5538 6.17406 4.86982 numMergedOcc 0
11 mol 9 unq 10 iso 0 dist 7.032 8.64915 4.58685 10.5747 10.8213 7.32257 12.3746 11.5421 7.2707 5.72062 numMergedOcc 0
12 mol 9 unq 11 iso 0 dist 7.032 8.64915 4.58685 5.06358 7.9944 6.55811 13.1204 10.5538 6.17406 9.10873 numMergedOcc 0
13 mol 9 unq 12 iso 0 dist 7.032 8.64915 4.58685 5.06358 7.9944 6.55811 12.3746 11.5421 7.2707 7.6565 numMergedOcc 0
14 mol 9 unq 13 iso 0 dist 7.032 8.17347 5.83039 5.06358 7.9944 7.36018 12.3746 11.5421 8.99816 7.6565 numMergedOcc 0
15 mol 24 unq 0 iso 0 dist 6.72502 8.60554 6.99746 14.6259 11.2485 8.4051 11.4659 12.3418 6.23824 13.2525 numMergedOcc 0
16 mol 24 unq 1 iso 0 dist 6.72502 8.60554 6.99746 10.0952 10.7114 7.29868 11.4659 12.3418 6.23824 4.99125 numMergedOcc 0
17 mol 65 unq 0 iso 0 dist 9.14931 6.72639 9.35965 5.48814 13.4288 6.76508 6.58414 14.9879 8.76172 4.92177 numMergedOcc 0
18 mol 65 unq 1 iso 0 dist 8.37515 6.76508 7.18126 5.48814 12.0267 6.72639 4.92177 11.6457 8.76172 6.58414 numMergedOcc 0
19 mol 85 unq 0 iso 0 dist 7.33422 7.54568 6.85215 10.1164 14.9249 9.39864 11.3372 14.7935 8.60839 4.60756 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 5.88354 5.59328 8.53212 10.6225 14.2622 5.78706 5.68803 8.12456 6.90706 11.4024 numMergedOcc 0
21 mol 98 unq 1 iso 0 dist 5.88354 5.59328 8.53212 11.4338 13.6237 7.23884 5.68803 8.12456 6.90706 8.43357 numMergedOcc 0
22 mol 98 unq 2 iso 0 dist 5.88354 5.59328 8.53212 7.72877 5.74854 7.5242 5.68803 8.12456 6.90706 5.68885 numMergedOcc 0
23 mol 98 unq 3 iso 0 dist 5.74854 7.5242 8.53212 12.7411 14.2622 5.78706 5.68885 8.12456 6.90706 11.4024 numMergedOcc 0
24 mol 98 unq 4 iso 0 dist 5.74854 7.5242 8.53212 9.30161 13.6237 7.23884 5.68885 8.12456 6.90706 8.43357 numMergedOcc 0
25 mol 98 unq 5 iso 0 dist 5.74854 7.5242 8.53212 7.72877 5.88354 5.59328 5.68885 8.12456 6.90706 5.68803 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 6.76699 6.16242 9.34112 7.81217 11.1595 5.87634 5.47259 6.85886 6.49688 4.70102 numMergedOcc 0
27 mol 170 unq 0 iso 0 dist 8.15099 6.35982 7.29587 6.52462 9.05166 9.10511 9.77705 6.79696 8.20406 6.22427 numMergedOcc 0
28 mol 170 unq 1 iso 0 dist 8.15099 6.35982 7.29587 6.52462 9.05166 9.10511 5.36359 10.7588 7.19802 4.72207 numMergedOcc 0
29 mol 170 unq 2 iso 0 dist 8.15099 6.35982 7.29587 6.52462 9.05166 9.10511 8.84552 13.5886 7.75807 8.94639 numMergedOcc 0
30 mol 235 unq 0 iso 0 dist 6.39158 6.36341 7.85398 8.31875 11.0084 6.21292 9.82715 8.44085 5.3481 6.55862 numMergedOcc 0
31 mol 235 unq 1 iso 0 dist 6.39158 6.36341 7.85398 10.5547 11.2916 9.21736 9.82715 8.44085 5.3481 6.8239 numMergedOcc 0
32 mol 237 unq 0 iso 0 dist 6.50471 9.60163 6.12402 14.5975 10.065 6.99315 12.3471 10.8187 6.21939 6.64982 numMergedOcc 0
33 mol 237 unq 1 iso 0 dist 6.50471 9.60163 6.12402 14.5975 10.065 6.99315 5.16634 6.6655 7.00854 13.6435 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 9.1925 9.63959 4.22544 12.4198 11.3842 9.96262 8.46375 10.0793 7.05518 7.98112 numMergedOcc 0
35 mol 258 unq 1 iso 0 dist 9.1925 9.63959 4.22544 12.321 11.3331 7.21311 8.46375 10.0793 7.05518 4.88549 numMergedOcc 0
36 mol 258 unq 2 iso 0 dist 6.70815 7.21311 8.10604 12.321 16.6122 9.63959 4.88549 10.8744 7.05518 8.46375 numMergedOcc 0
37 mol 258 unq 3 iso 0 dist 6.70815 7.21311 8.10604 10.7374 14.5215 9.96262 4.88549 10.8744 7.05518 7.98112 numMergedOcc 0
