0 mol 9 unq 0 iso 0 dist 8.46229 7.36079 7.05346 13.6879 8.50424 8.076 9.93406 7.32257 8.88528 7.35972 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.46229 7.36079 7.05346 13.6879 8.50424 8.076 14.9025 11.0167 14.0736 9.93542 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.7522 14.6525 8.44506 9.44507 10.9837 9.5053 14.288 11.9684 5.66783 6.56527 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 9.96265 8.17152 7.52117 12.7039 4.55437 7.03307 12.8967 9.6782 5.1728 7.48846 numMergedOcc 0
4 mol 44 unq 1 iso 0 dist 9.70459 10.0357 7.52117 13.31 4.55437 7.03307 13.4256 9.6782 5.1728 7.48846 numMergedOcc 0
5 mol 44 unq 2 iso 0 dist 7.78905 7.37043 7.52117 10.53 4.55437 7.03307 9.64095 9.6782 5.1728 7.48846 numMergedOcc 0
6 mol 44 unq 3 iso 0 dist 9.44909 6.36853 7.52117 9.45566 4.55437 7.03307 4.83412 9.6782 5.1728 7.48846 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 6.18305 11.4574 8.73253 9.54477 6.56633 6.48232 8.04207 10.2755 7.86177 8.87464 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 8.58841 10.7962 7.27693 14.8689 6.45686 9.75201 15.7152 9.38371 7.2505 8.95905 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.9747 8.89866 7.26086 10.9995 7.06961 8.43352 11.9783 11.3043 8.02554 7.36769 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.9747 8.89866 7.26086 10.9995 7.06961 8.43352 7.43001 6.65501 11.2092 6.88901 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 4.50572 7.87523 7.26086 11.1541 7.06961 8.43352 13.4604 11.3043 8.02554 7.36769 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 4.50572 7.87523 7.26086 11.1541 7.06961 8.43352 9.5305 6.65501 11.2092 6.88901 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 7.15985 6.84906 8.729 5.42828 5.39346 9.77017 6.62328 10.7886 7.22444 7.80873 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 6.40546 6.64646 7.99623 8.4733 7.45148 9.9151 5.73999 8.99399 4.99495 7.20249 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 7.81337 6.99491 9.29384 12.2564 13.1439 5.44303 10.7072 14.9021 5.66194 5.87084 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 9.92932 8.2282 8.20836 12.1527 4.57832 9.30061 18.3345 10.5252 14.2253 6.40575 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 9.60369 4.02705 7.36779 11.9876 7.1797 9.30061 17.6193 10.8985 14.2253 6.40575 numMergedOcc 0
18 mol 134 unq 2 iso 0 dist 9.55556 4.02705 8.20836 11.9876 4.57832 9.30061 17.6193 10.5252 14.2253 6.40575 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 9.77689 9.41779 6.57903 15.2129 6.28695 7.85414 14.4283 10.5329 5.43373 8.20644 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 8.51931 12.4389 6.57903 10.5 6.28695 7.85414 14.3929 10.5329 5.43373 8.20644 numMergedOcc 0
