0 mol 5 unq 0 iso 0 dist 8.80355 11.5351 8.19185 17.0982 10.5844 7.15734 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 8.54362 5.80918 8.23238 6.11408 8.66151 8.51178 numMergedOcc 0
2 mol 36 unq 0 iso 0 dist 8.61422 5.57356 8.97567 8.9566 6.03866 5.83354 numMergedOcc 0
3 mol 36 unq 1 iso 0 dist 8.9353 6.76635 9.96441 9.98689 8.02028 8.47497 numMergedOcc 0
4 mol 36 unq 2 iso 0 dist 5.58536 13.8115 9.96441 13.0666 8.02028 8.47497 numMergedOcc 0
5 mol 36 unq 3 iso 0 dist 6.6055 5.19317 8.97567 4.10339 6.03866 5.83354 numMergedOcc 0
6 mol 55 unq 0 iso 0 dist 8.77395 9.62261 9.07741 13.2713 13.0917 9.30367 numMergedOcc 0
7 mol 55 unq 1 iso 0 dist 8.77395 9.62261 9.07741 11.9163 8.02914 6.67079 numMergedOcc 0
8 mol 55 unq 2 iso 0 dist 6.91288 9.62261 8.0388 13.2713 8.70959 9.30367 numMergedOcc 0
9 mol 55 unq 3 iso 0 dist 6.91288 9.62261 8.0388 11.9163 10.9066 6.67079 numMergedOcc 0
10 mol 55 unq 4 iso 0 dist 8.60087 9.62261 9.7883 13.2713 16.3846 9.30367 numMergedOcc 0
11 mol 55 unq 5 iso 0 dist 8.60087 9.62261 9.7883 11.9163 6.53022 6.67079 numMergedOcc 0
12 mol 83 unq 0 iso 0 dist 6.72584 11.9679 9.55089 13.6296 13.8604 7.37989 numMergedOcc 0
13 mol 83 unq 1 iso 0 dist 7.25594 11.9679 7.22942 13.6296 8.71052 7.37989 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 7.84085 10.9634 6.30568 13.1534 11.8581 7.96689 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 7.84085 10.9634 6.30568 15.3128 14.8338 9.6582 numMergedOcc 0
16 mol 165 unq 0 iso 0 dist 6.74196 9.24409 5.03758 3.87901 4.89071 8.2197 numMergedOcc 0
17 mol 165 unq 1 iso 0 dist 6.72652 6.58447 5.03758 5.04534 4.89071 8.2197 numMergedOcc 0
18 mol 165 unq 2 iso 0 dist 6.4503 6.58447 4.63353 5.04534 6.22764 8.2197 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 8.20517 16.3549 8.98606 9.0757 4.75805 9.45847 numMergedOcc 0
20 mol 184 unq 1 iso 0 dist 9.15923 3.95306 8.98606 9.39563 4.75805 9.45847 numMergedOcc 0
21 mol 184 unq 2 iso 0 dist 6.03505 9.14602 8.98606 7.51045 4.75805 9.45847 numMergedOcc 0
22 mol 249 unq 0 iso 0 dist 6.32658 6.06312 9.38713 10.639 10.441 6.18866 numMergedOcc 0
23 mol 285 unq 0 iso 0 dist 6.41777 9.64395 8.26827 4.09984 5.42273 8.70702 numMergedOcc 0
24 mol 285 unq 1 iso 0 dist 6.41777 6.59466 7.9002 9.03396 4.39911 8.08495 numMergedOcc 0
25 mol 285 unq 2 iso 0 dist 6.41777 6.59466 7.9002 4.09984 5.42273 9.3482 numMergedOcc 0
