0 mol 8 unq 0 iso 0 dist 5.46588 6.71852 6.84097 5.95251 8.99126 10.8486 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 5.36258 6.44099 7.24362 6.57145 8.23643 7.97324 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 5.36258 6.44099 7.24362 6.01189 8.73972 10.9181 numMergedOcc 0
3 mol 21 unq 0 iso 0 dist 7.38586 6.62795 7.51251 5.62318 6.08338 7.81429 numMergedOcc 0
4 mol 21 unq 1 iso 0 dist 7.38586 7.67928 5.4965 5.62318 6.08338 9.39415 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 8.10708 8.95563 11.5018 7.43198 6.23899 13.4533 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 9.20253 6.59634 11.5018 8.34147 6.23899 13.4533 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 7.14313 9.18112 6.23298 5.2027 6.33365 10.7441 numMergedOcc 0
8 mol 75 unq 1 iso 0 dist 7.14313 9.18112 6.23298 6.77761 5.15851 7.16975 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 5.92974 7.85662 4.24369 6.06775 9.10189 9.30559 numMergedOcc 0
10 mol 107 unq 0 iso 0 dist 9.31826 8.087 9.63104 13.5052 8.40312 13.0422 numMergedOcc 0
11 mol 127 unq 0 iso 0 dist 4.9835 8.04315 4.98036 7.96613 6.192 10.4231 numMergedOcc 0
12 mol 127 unq 1 iso 0 dist 4.9835 8.04315 4.98036 6.32804 7.69308 11.0323 numMergedOcc 0
13 mol 127 unq 2 iso 0 dist 4.9835 8.04315 4.98036 11.5038 8.59981 5.72373 numMergedOcc 0
14 mol 127 unq 3 iso 0 dist 4.9835 8.04315 4.98036 12.1032 7.66331 7.20988 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 6.61636 7.7342 10.2219 14.1314 7.92688 17.8147 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 6.61636 9.79873 6.14787 14.1314 7.92688 9.40521 numMergedOcc 0
17 mol 173 unq 0 iso 0 dist 7.33162 8.28635 7.92391 7.92818 7.93331 14.1311 numMergedOcc 0
18 mol 173 unq 1 iso 0 dist 7.33162 8.28635 7.92391 8.40346 6.98095 13.5985 numMergedOcc 0
19 mol 173 unq 2 iso 0 dist 7.33162 8.28635 7.92391 11.3291 8.31897 15.1486 numMergedOcc 0
20 mol 187 unq 0 iso 0 dist 7.9625 6.94036 10.199 4.98423 9.27478 9.84467 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 5.45375 9.70363 4.95611 6.01492 9.02188 13.8947 numMergedOcc 0
22 mol 293 unq 0 iso 0 dist 5.50284 8.36747 6.33022 6.91752 9.47908 14.3322 numMergedOcc 0
23 mol 293 unq 1 iso 0 dist 5.50284 8.36747 6.33022 5.66805 8.56847 10.3299 numMergedOcc 0
24 mol 293 unq 2 iso 0 dist 8.88355 8.36747 9.06827 6.91752 9.97212 14.3322 numMergedOcc 0
