0 mol 43 unq 0 iso 0 dist 9.79678 8.25984 4.64937 4.22382 8.84944 5.51659 6.92677 11.6604 9.81698 7.79998 numMergedOcc 0
1 mol 133 unq 0 iso 0 dist 7.4963 7.96689 7.52391 8.17831 10.0537 6.00667 11.9436 9.89098 9.48243 6.55423 numMergedOcc 0
2 mol 133 unq 1 iso 0 dist 7.74278 7.96689 7.72261 8.17831 5.79195 6.00667 11.9436 12.3165 9.48243 6.55423 numMergedOcc 0
3 mol 133 unq 2 iso 0 dist 8.54607 9.6582 7.72261 11.5137 5.79195 6.00667 16.3678 12.3165 9.48243 6.55423 numMergedOcc 0
4 mol 133 unq 3 iso 0 dist 8.08807 7.96689 13.0543 8.17831 8.76088 6.00667 11.9436 11.5517 9.48243 6.55423 numMergedOcc 0
5 mol 152 unq 0 iso 0 dist 6.26222 6.4737 7.54583 10.8322 13.6687 6.21275 7.20811 9.35916 9.74498 12.692 numMergedOcc 0
6 mol 175 unq 0 iso 0 dist 9.30469 6.03184 4.81365 4.40729 7.30813 5.25888 5.52686 10.6016 9.57611 5.34813 numMergedOcc 0
7 mol 175 unq 1 iso 0 dist 9.30469 6.03184 4.81365 4.40729 7.30813 5.25888 5.73338 9.09725 5.08206 4.51101 numMergedOcc 0
8 mol 182 unq 0 iso 0 dist 8.22267 8.94671 4.39505 9.4786 8.27913 8.63031 4.85077 9.36307 7.86625 8.27268 numMergedOcc 0
9 mol 206 unq 0 iso 0 dist 8.21649 7.65323 4.85877 9.10202 9.42047 8.75124 6.68626 10.8385 9.99185 4.47174 numMergedOcc 0
10 mol 206 unq 1 iso 0 dist 8.21649 7.65323 4.85877 9.10202 9.42047 8.75124 7.20088 7.0119 8.31638 4.1887 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 7.52542 6.24111 6.24537 12.1185 14.1504 8.14122 13.3929 11.965 9.67457 9.53948 numMergedOcc 0
12 mol 210 unq 1 iso 0 dist 9.58979 9.00343 6.24537 13.3105 14.1504 8.14122 12.3088 11.965 9.67457 9.53948 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 8.37469 7.86207 15.7127 6.68491 13.4706 8.40945 10.6943 18.2396 9.8711 6.29733 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 8.37469 7.86207 15.7127 8.20682 14.053 7.81237 10.6943 18.2396 9.8711 13.3213 numMergedOcc 0
15 mol 230 unq 0 iso 0 dist 9.26431 6.23346 4.32804 5.70986 12.8006 8.59955 9.6645 9.10813 9.54235 13.5892 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 8.06955 4.55368 9.68677 6.49658 14.3579 6.66413 6.18571 11.1172 7.93997 6.82055 numMergedOcc 0
