0 mol 34 unq 0 iso 0 dist 4.97286 5.73257 5.32588 6.00825 4.50643 9.14069 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 5.99047 9.46609 6.71645 9.16318 5.48997 10.4791 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 8.59923 8.48223 5.30462 5.10388 7.12853 8.05492 numMergedOcc 0
3 mol 71 unq 1 iso 0 dist 8.59923 8.48223 5.30462 5.82845 6.14513 9.27619 numMergedOcc 0
4 mol 105 unq 0 iso 0 dist 6.37212 8.32431 4.27067 11.0792 9.96269 6.13301 numMergedOcc 0
5 mol 128 unq 0 iso 0 dist 6.45731 6.12126 5.40594 7.39545 6.93718 10.5999 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.58727 4.95674 13.0351 7.22293 5.92836 11.5276 numMergedOcc 0
7 mol 151 unq 0 iso 0 dist 7.81284 9.74861 11.9263 5.65804 9.79321 12.8122 numMergedOcc 0
8 mol 151 unq 1 iso 0 dist 7.81284 9.74861 11.9263 3.79396 5.89468 7.48309 numMergedOcc 0
9 mol 172 unq 0 iso 0 dist 6.10845 9.42197 5.05503 10.5641 9.21942 9.4252 numMergedOcc 0
10 mol 172 unq 1 iso 0 dist 6.16303 7.69618 4.71027 6.78233 7.77643 11.2196 numMergedOcc 0
11 mol 172 unq 2 iso 0 dist 6.16303 7.69618 4.71027 8.65462 4.90175 8.52605 numMergedOcc 0
12 mol 209 unq 0 iso 0 dist 8.9906 5.20111 12.5973 13.8836 8.8886 16.9282 numMergedOcc 0
13 mol 209 unq 1 iso 0 dist 8.9906 5.20111 12.5973 15.5731 8.78565 19.7639 numMergedOcc 0
14 mol 228 unq 0 iso 0 dist 9.60884 9.79291 5.19012 14.1961 9.64659 7.56863 numMergedOcc 0
15 mol 267 unq 0 iso 0 dist 6.54894 8.87518 4.62072 8.72742 8.21131 11.0056 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 4.66834 9.28545 12.0817 5.57184 6.40125 8.62043 numMergedOcc 0
17 mol 277 unq 1 iso 0 dist 4.66834 9.28545 12.0817 10.4217 7.25282 19.0283 numMergedOcc 0
18 mol 294 unq 0 iso 0 dist 9.00901 7.86196 12.6147 16.7838 8.46311 20.7535 numMergedOcc 0
