0 mol 20 unq 0 iso 0 dist 9.11216 8.39877 7.09217 6.05786 9.55686 12.3937 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 6.29578 12.9422 8.67928 7.58687 9.74724 17.0937 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 6.29578 12.9422 8.67928 5.14626 9.13347 15.9137 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 8.6615 4.14121 6.86736 6.26209 9.0017 5.51967 numMergedOcc 0
4 mol 20 unq 4 iso 0 dist 8.6615 11.667 8.17383 6.26209 9.0017 9.92805 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 6.93243 8.98132 6.34085 4.85685 5.83263 4.32751 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 6.93243 8.5169 6.48274 4.85685 5.83263 4.83294 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 5.6738 4.81689 5.9758 10.3017 8.46167 13.5955 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 5.6738 4.81689 5.9758 10.3632 6.13175 11.746 numMergedOcc 0
9 mol 113 unq 2 iso 0 dist 5.6738 4.81689 5.9758 9.86085 4.34107 9.9322 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 5.29259 7.46008 5.32751 6.06647 5.45716 3.67473 numMergedOcc 0
11 mol 197 unq 0 iso 0 dist 5.97267 10.6805 8.43104 9.17181 9.10527 16.1513 numMergedOcc 0
12 mol 197 unq 1 iso 0 dist 5.97267 8.06716 9.13452 9.17181 9.10527 11.1658 numMergedOcc 0
13 mol 197 unq 2 iso 0 dist 8.80739 12.657 8.43104 6.10739 9.10527 16.1513 numMergedOcc 0
14 mol 197 unq 3 iso 0 dist 8.80739 6.07107 9.13452 6.10739 9.10527 11.1658 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 6.70789 6.22277 5.77928 4.73685 8.47836 7.99695 numMergedOcc 0
16 mol 230 unq 0 iso 0 dist 6.35413 5.13474 8.19003 13.5506 8.46558 15.8602 numMergedOcc 0
17 mol 230 unq 1 iso 0 dist 6.35413 5.13474 8.19003 12.7091 9.96417 11.7755 numMergedOcc 0
18 mol 230 unq 2 iso 0 dist 6.35413 5.13474 8.19003 11.621 9.28671 8.76971 numMergedOcc 0
19 mol 254 unq 0 iso 0 dist 8.98259 4.72583 5.9438 5.39519 6.58752 4.4384 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 6.26195 5.0607 5.96512 3.57554 8.27566 5.18533 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 8.93788 4.82331 9.60449 8.51059 8.53393 4.60397 numMergedOcc 0
22 mol 266 unq 1 iso 0 dist 8.93788 4.82331 9.60449 7.79913 7.24165 5.26919 numMergedOcc 0
23 mol 278 unq 0 iso 0 dist 7.11792 4.98979 9.51705 3.47973 4.76359 6.15148 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 5.43095 4.59906 8.22213 9.94962 9.66129 9.68489 numMergedOcc 0
25 mol 292 unq 1 iso 0 dist 8.46523 5.59939 8.22213 6.14691 9.66129 9.68489 numMergedOcc 0
