0 mol 17 unq 0 iso 0 dist 6.89863 9.54285 5.21083 11.074 8.48453 6.53817 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.89863 9.54285 5.21083 10.1562 8.80499 9.81769 numMergedOcc 0
2 mol 66 unq 0 iso 0 dist 6.90306 7.1612 10.4605 5.89221 12.756 8.31793 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 9.81202 9.52282 6.19687 9.65979 14.1058 9.57498 numMergedOcc 0
4 mol 123 unq 0 iso 0 dist 8.75242 9.01131 8.94071 4.41099 11.3117 8.43313 numMergedOcc 0
5 mol 125 unq 0 iso 0 dist 6.65267 4.81596 8.53187 6.5815 12.4234 9.63302 numMergedOcc 0
6 mol 125 unq 1 iso 0 dist 6.55342 4.81596 6.65567 6.5815 12.9289 9.63302 numMergedOcc 0
7 mol 132 unq 0 iso 0 dist 9.51094 9.10144 8.84157 10.3663 9.0339 6.495 numMergedOcc 0
8 mol 132 unq 1 iso 0 dist 9.51094 9.10144 8.84157 9.16496 8.48641 9.43748 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 4.31989 8.29174 5.10341 4.76513 6.7319 8.11202 numMergedOcc 0
10 mol 167 unq 0 iso 0 dist 5.78397 6.5782 9.61657 5.361 10.9271 7.83781 numMergedOcc 0
11 mol 167 unq 1 iso 0 dist 5.78397 6.6514 10.8251 6.7811 10.7026 8.58946 numMergedOcc 0
12 mol 167 unq 2 iso 0 dist 5.36359 6.6514 4.72853 6.7811 4.93984 8.58946 numMergedOcc 0
13 mol 259 unq 0 iso 0 dist 6.11495 6.6238 6.96133 4.53603 6.49599 6.96379 numMergedOcc 0
14 mol 259 unq 1 iso 0 dist 9.78407 6.6238 12.2466 4.53603 10.8995 6.96379 numMergedOcc 0
15 mol 276 unq 0 iso 0 dist 8.02433 5.71066 7.74891 5.95336 6.24808 8.95876 numMergedOcc 0
16 mol 276 unq 1 iso 0 dist 8.02433 5.71066 7.74891 6.64138 12.5014 8.259 numMergedOcc 0
17 mol 284 unq 0 iso 0 dist 9.40824 5.62295 10.8528 12.4046 14.5908 8.08993 numMergedOcc 0
18 mol 284 unq 1 iso 0 dist 9.40824 5.62295 10.8528 10.5879 15.5811 7.34344 numMergedOcc 0
19 mol 284 unq 2 iso 0 dist 6.1324 5.62295 5.8173 12.4046 10.0607 8.08993 numMergedOcc 0
20 mol 284 unq 3 iso 0 dist 6.1324 5.62295 5.8173 10.5879 11.5929 7.34344 numMergedOcc 0
