0 mol 13 unq 0 iso 0 dist 6.72878 4.97238 5.83624 10.6462 8.27119 5.87938 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 4.29713 10.1173 6.64721 7.22338 7.31718 7.827 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 4.29713 10.1173 6.64721 5.36021 5.47447 8.35566 numMergedOcc 0
3 mol 41 unq 2 iso 0 dist 4.29713 11.2861 9.36169 7.22338 7.31718 5.82619 numMergedOcc 0
4 mol 41 unq 3 iso 0 dist 4.29713 11.2861 9.36169 5.36021 5.47447 12.3869 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 6.09085 11.9238 8.8014 11.023 5.64092 5.29175 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 6.09085 11.9238 8.8014 8.24064 8.71074 14.9646 numMergedOcc 0
7 mol 69 unq 0 iso 0 dist 7.21134 4.9038 9.77648 16.036 9.08745 17.1322 numMergedOcc 0
8 mol 69 unq 1 iso 0 dist 7.21134 14.266 9.18161 16.036 9.08745 6.25587 numMergedOcc 0
9 mol 69 unq 2 iso 0 dist 7.40698 8.92603 9.77648 11.2122 9.08745 17.1322 numMergedOcc 0
10 mol 69 unq 3 iso 0 dist 7.40698 7.06696 9.18161 11.2122 9.08745 6.25587 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 5.91019 4.32836 6.22872 4.05022 4.27766 5.86721 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 7.49235 7.1496 9.43355 7.76629 6.67678 13.6305 numMergedOcc 0
13 mol 93 unq 1 iso 0 dist 7.49235 7.1496 9.43355 8.52218 7.24956 14.1431 numMergedOcc 0
14 mol 93 unq 2 iso 0 dist 7.49235 7.1496 9.43355 3.83191 8.28591 3.99275 numMergedOcc 0
15 mol 93 unq 3 iso 0 dist 7.49235 7.1496 9.43355 3.77555 9.40687 6.46195 numMergedOcc 0
16 mol 93 unq 4 iso 0 dist 7.19431 7.1496 5.64141 3.83191 5.35008 3.99275 numMergedOcc 0
17 mol 93 unq 5 iso 0 dist 7.19431 7.1496 5.64141 3.77555 8.84576 6.46195 numMergedOcc 0
18 mol 116 unq 0 iso 0 dist 8.71812 4.86088 5.93365 6.28158 7.54274 4.26914 numMergedOcc 0
19 mol 116 unq 1 iso 0 dist 8.71812 5.28258 6.99944 6.28158 7.54274 9.53399 numMergedOcc 0
20 mol 169 unq 0 iso 0 dist 9.70796 6.33958 8.66311 7.64279 8.93091 3.86496 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 8.95209 10.6164 5.00402 4.59453 9.4366 8.73397 numMergedOcc 0
22 mol 233 unq 0 iso 0 dist 6.0751 9.27865 9.79864 5.31235 8.4338 13.1316 numMergedOcc 0
