0 mol 8 unq 0 iso 0 dist 6.27477 7.55301 8.99126 8.73998 5.95251 5.46588 numMergedOcc 0
1 mol 99 unq 0 iso 0 dist 9.24442 5.03719 7.72108 13.0451 11.4646 9.46619 numMergedOcc 0
2 mol 100 unq 0 iso 0 dist 5.09688 10.6273 8.72704 9.52282 6.89762 6.0026 numMergedOcc 0
3 mol 100 unq 1 iso 0 dist 9.26343 11.6898 8.72704 10.1666 6.89762 6.0026 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 8.32004 4.91188 6.19042 10.8682 6.24736 6.36583 numMergedOcc 0
5 mol 127 unq 0 iso 0 dist 9.79448 11.8721 8.59981 16.2948 13.8098 5.45159 numMergedOcc 0
6 mol 127 unq 1 iso 0 dist 9.79448 11.8721 8.59981 11.9087 11.5038 4.9835 numMergedOcc 0
7 mol 187 unq 0 iso 0 dist 7.68247 4.8403 9.27478 5.26804 4.98423 7.9625 numMergedOcc 0
8 mol 187 unq 1 iso 0 dist 7.68247 4.8403 9.27478 11.7285 10.0429 8.9148 numMergedOcc 0
9 mol 238 unq 0 iso 0 dist 7.13194 14.751 9.29858 17.9091 11.2453 7.87164 numMergedOcc 0
10 mol 238 unq 1 iso 0 dist 7.62771 12.4266 9.68513 13.7187 14.8949 7.87164 numMergedOcc 0
11 mol 238 unq 2 iso 0 dist 7.80166 12.4266 9.29858 13.7187 11.2453 7.87164 numMergedOcc 0
12 mol 249 unq 0 iso 0 dist 6.93507 5.63238 8.96876 10.639 6.28944 9.02486 numMergedOcc 0
13 mol 249 unq 1 iso 0 dist 6.42827 5.63238 8.83735 10.639 12.5843 9.02486 numMergedOcc 0
14 mol 266 unq 0 iso 0 dist 9.27588 10.1704 9.02188 10.2632 6.01492 5.45375 numMergedOcc 0
15 mol 282 unq 0 iso 0 dist 7.90792 6.63358 7.32347 7.3389 11.2762 7.10557 numMergedOcc 0
16 mol 293 unq 0 iso 0 dist 8.90008 11.8919 8.56847 16.8602 11.4201 5.88449 numMergedOcc 0
17 mol 293 unq 1 iso 0 dist 8.90008 11.8919 8.56847 16.8981 9.51167 7.44889 numMergedOcc 0
18 mol 293 unq 2 iso 0 dist 8.90008 11.8919 8.56847 10.3468 5.66805 5.50284 numMergedOcc 0
19 mol 294 unq 0 iso 0 dist 7.1984 6.28374 9.03492 9.2924 6.6414 8.05845 numMergedOcc 0
20 mol 294 unq 1 iso 0 dist 7.1984 6.28374 9.03492 11.4807 15.587 8.73893 numMergedOcc 0
