0 mol 25 unq 0 iso 0 dist 8.83402 8.46842 5.59268 10.5274 13.0464 8.40051 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.58806 9.07927 12.1122 12.3669 19.1791 9.87281 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 8.58806 8.50987 14.3338 12.3669 19.1791 7.63928 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 8.76383 5.17291 7.19147 4.73724 9.4022 8.09199 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 8.76383 5.17291 7.19147 3.98395 10.6928 7.47794 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 5.8409 8.40871 7.17843 11.8939 9.84346 9.23023 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 8.13368 8.40871 4.4651 11.8939 9.46472 9.23023 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 9.35529 9.41521 5.89379 9.0362 8.43293 7.04864 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 4.76012 6.1421 6.43966 12.3343 14.5797 9.28278 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 9.87066 6.44766 5.59449 11.2112 12.2899 7.81337 numMergedOcc 0
10 mol 180 unq 0 iso 0 dist 9.13402 7.24785 10.2567 16.5686 19.3627 9.88732 numMergedOcc 0
11 mol 180 unq 1 iso 0 dist 9.13402 7.24785 10.2567 11.9699 15.84 5.77949 numMergedOcc 0
12 mol 180 unq 2 iso 0 dist 9.13402 7.24785 10.2567 14.8912 17.779 8.68403 numMergedOcc 0
13 mol 180 unq 3 iso 0 dist 9.13402 7.24785 10.2567 4.80648 12.7198 5.80441 numMergedOcc 0
14 mol 197 unq 0 iso 0 dist 8.05227 7.18765 7.56497 14.6497 14.7463 8.3337 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 9.22999 5.07968 5.38988 6.85536 11.3595 7.16386 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 6.17749 8.81925 4.82768 9.27187 10.9808 9.55777 numMergedOcc 0
17 mol 234 unq 0 iso 0 dist 5.67249 7.17987 6.50055 14.3029 10.7133 7.86368 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 5.40329 6.0087 4.38595 13.2917 11.1162 8.90987 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 6.84909 6.87804 8.04474 12.1872 12.7106 9.20416 numMergedOcc 0
20 mol 292 unq 1 iso 0 dist 6.84909 6.87804 8.04474 12.2904 8.35169 7.53641 numMergedOcc 0
21 mol 292 unq 2 iso 0 dist 6.38051 6.07571 9.00118 11.4534 16.3449 9.20416 numMergedOcc 0
22 mol 292 unq 3 iso 0 dist 6.38051 6.07571 9.00118 4.49811 7.7557 7.53641 numMergedOcc 0
