0 mol 44 unq 0 iso 0 dist 7.85573 9.64095 7.42925 10.53 6.30672 7.48846 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 6.21423 4.83412 7.42925 9.45566 6.30672 7.48846 numMergedOcc 0
2 mol 119 unq 0 iso 0 dist 5.28955 4.09788 6.13508 8.75431 5.01597 7.20249 numMergedOcc 0
3 mol 141 unq 0 iso 0 dist 6.95914 13.2639 7.35385 13.1405 7.20376 6.75376 numMergedOcc 0
4 mol 141 unq 1 iso 0 dist 6.95914 10.9097 8.35864 13.1405 7.20376 9.10042 numMergedOcc 0
5 mol 141 unq 2 iso 0 dist 6.95914 10.9097 8.35864 14.278 10.1764 9.75059 numMergedOcc 0
6 mol 141 unq 3 iso 0 dist 6.95914 10.9097 8.35864 15.3722 14.3045 6.83404 numMergedOcc 0
7 mol 162 unq 0 iso 0 dist 8.77869 4.13881 9.25835 12.2828 8.75377 9.7361 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 4.96259 3.97538 5.67112 6.95568 5.87168 5.94379 numMergedOcc 0
9 mol 192 unq 0 iso 0 dist 7.252 11.153 9.99783 15.2035 12.9926 9.36796 numMergedOcc 0
10 mol 225 unq 0 iso 0 dist 8.97523 4.14576 6.6069 12.0756 5.32064 8.37739 numMergedOcc 0
11 mol 225 unq 1 iso 0 dist 8.97523 4.14576 6.6069 13.2536 6.76978 9.47237 numMergedOcc 0
12 mol 232 unq 0 iso 0 dist 7.99525 9.77057 9.92671 17.7103 13.2481 9.78181 numMergedOcc 0
13 mol 232 unq 1 iso 0 dist 9.20965 9.30551 9.92671 16.6261 13.2481 9.78181 numMergedOcc 0
14 mol 232 unq 2 iso 0 dist 6.11539 6.70882 6.23146 12.8434 13.2043 9.8664 numMergedOcc 0
15 mol 232 unq 3 iso 0 dist 9.71082 14.3107 6.23146 16.8425 13.2043 9.8664 numMergedOcc 0
16 mol 235 unq 0 iso 0 dist 8.88613 4.32578 6.86251 10.5829 11.1737 6.94789 numMergedOcc 0
17 mol 249 unq 0 iso 0 dist 7.279 4.20164 4.68783 9.02777 4.30062 5.9627 numMergedOcc 0
18 mol 249 unq 1 iso 0 dist 8.43448 5.93404 4.68783 11.4503 4.30062 5.9627 numMergedOcc 0
19 mol 256 unq 0 iso 0 dist 9.37687 15.2988 7.40057 16.6132 10.7996 6.33496 numMergedOcc 0
20 mol 256 unq 1 iso 0 dist 9.37687 15.2988 7.40057 12.4604 6.82173 6.00636 numMergedOcc 0
21 mol 256 unq 2 iso 0 dist 9.37687 15.2988 7.40057 22.7481 14.0229 7.81448 numMergedOcc 0
22 mol 256 unq 3 iso 0 dist 9.37687 15.2988 7.40057 22.959 15.2736 8.54499 numMergedOcc 0
23 mol 265 unq 0 iso 0 dist 6.98812 10.7881 7.49913 16.8118 11.806 8.984 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 8.14634 5.15747 9.02661 9.11072 14.7933 6.88827 numMergedOcc 0
25 mol 274 unq 1 iso 0 dist 8.14634 5.15747 9.02661 6.83113 7.09841 9.16942 numMergedOcc 0
