0 mol 34 unq 0 iso 0 dist 7.93454 9.06898 3.39994 10.6266 7.18022 6.24711 12.5404 7.01952 4.58552 4.55481 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 9.06898 7.93454 3.39994 10.6266 6.24711 7.18022 12.5404 4.58552 7.01952 4.55481 numMergedOcc 0
2 mol 89 unq 0 iso 0 dist 7.06277 9.55954 7.04263 4.4691 8.40422 13.0722 12.0097 8.05579 12.9299 10.6632 numMergedOcc 0
3 mol 89 unq 1 iso 0 dist 7.06277 9.55954 7.04263 5.38419 8.40425 10.7697 12.0097 8.05579 12.9299 9.32983 numMergedOcc 0
4 mol 89 unq 2 iso 0 dist 7.06277 9.55954 7.04263 6.529 7.47974 6.53308 12.0097 8.05579 12.9299 10.4274 numMergedOcc 0
5 mol 89 unq 3 iso 0 dist 7.06277 9.55954 7.04263 8.3977 5.51831 12.3442 12.0097 8.05579 12.9299 6.13636 numMergedOcc 0
6 mol 89 unq 4 iso 0 dist 7.06277 9.55954 7.04263 9.83986 9.65149 15.1929 12.0097 8.05579 12.9299 6.14929 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 9.61144 6.13521 6.02822 14.8146 9.36001 12.4681 13.5622 9.99441 13.7026 6.77937 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 5.46186 9.43355 13.3531 10.2851 9.22631 12.8018 6.81453 7.23305 11.9048 4.93402 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 5.46186 5.64141 10.7398 10.2851 9.22631 13.0349 6.81453 7.23305 10.293 4.93402 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 9.21978 6.17349 11.044 10.3475 6.39384 13.4105 3.85674 7.65564 9.0534 6.95773 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 9.21978 6.17349 11.044 6.86762 9.42082 7.69765 3.85674 7.65564 9.0534 6.01673 numMergedOcc 0
12 mol 213 unq 0 iso 0 dist 5.81317 9.27411 3.48075 5.69131 7.94911 10.5818 6.49084 7.90657 10.0722 4.72944 numMergedOcc 0
13 mol 222 unq 0 iso 0 dist 8.79662 6.6497 4.79329 13.3218 7.48954 12.0028 5.03056 5.72 6.84052 8.34852 numMergedOcc 0
14 mol 243 unq 0 iso 0 dist 9.49016 8.92798 6.26616 6.50608 8.69318 11.4025 12.1329 8.30024 13.6993 10.2068 numMergedOcc 0
15 mol 243 unq 1 iso 0 dist 9.49016 8.92798 6.26616 6.50608 8.69318 11.4025 6.41173 8.20943 11.5417 5.74165 numMergedOcc 0
16 mol 251 unq 0 iso 0 dist 8.99048 7.96982 3.63976 6.30024 9.82601 10.322 15.6828 9.02417 12.5936 13.28 numMergedOcc 0
17 mol 251 unq 1 iso 0 dist 8.99048 7.96982 3.63976 4.34197 6.50357 7.39775 15.6828 9.02417 12.5936 11.5298 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 9.65996 9.13412 4.99426 6.39438 9.74118 11.3379 6.49965 6.22943 9.23612 5.94 numMergedOcc 0
19 mol 292 unq 1 iso 0 dist 9.65996 9.13412 4.99426 6.39438 9.74118 11.3379 12.2613 9.31056 13.842 9.18492 numMergedOcc 0
20 mol 292 unq 2 iso 0 dist 9.13412 9.65996 4.99426 14.0055 9.46442 14.4052 6.49965 9.23612 6.22943 17.5073 numMergedOcc 0
