0 mol 88 unq 0 iso 0 dist 9.47957 9.4046 5.60823 6.98838 5.71776 6.64721 numMergedOcc 0
1 mol 88 unq 0 iso 1 dist 9.4046 9.47957 5.60823 6.98838 6.64721 5.71776 numMergedOcc 0
2 mol 100 unq 0 iso 0 dist 6.97361 8.52125 10.2399 7.90328 5.07584 7.59628 numMergedOcc 0
3 mol 100 unq 0 iso 1 dist 8.52125 6.97361 10.2399 7.90328 7.59628 5.07584 numMergedOcc 0
4 mol 123 unq 0 iso 0 dist 9.28454 7.97266 6.2968 6.7201 4.57557 7.07913 numMergedOcc 0
5 mol 123 unq 0 iso 1 dist 7.97266 9.28454 6.2968 6.7201 7.07913 4.57557 numMergedOcc 0
6 mol 148 unq 0 iso 0 dist 6.60739 9.22427 7.64654 8.07915 6.94302 12.3565 numMergedOcc 0
7 mol 148 unq 0 iso 1 dist 9.22427 6.60739 7.64654 8.07915 12.3565 6.94302 numMergedOcc 0
8 mol 148 unq 1 iso 0 dist 6.60739 5.55129 6.00563 8.07915 6.94302 5.58057 numMergedOcc 0
9 mol 148 unq 1 iso 1 dist 5.55129 6.60739 6.00563 8.07915 5.58057 6.94302 numMergedOcc 0
10 mol 148 unq 1 iso 0 dist 9.22427 5.55129 12.4819 8.07915 12.3565 5.58057 numMergedOcc 0
11 mol 148 unq 1 iso 1 dist 5.55129 9.22427 12.4819 8.07915 5.58057 12.3565 numMergedOcc 0
12 mol 150 unq 0 iso 0 dist 6.71763 9.32504 7.66386 7.97801 6.83379 12.2713 numMergedOcc 0
13 mol 150 unq 0 iso 1 dist 9.32504 6.71763 7.66386 7.97801 12.2713 6.83379 numMergedOcc 0
14 mol 150 unq 1 iso 0 dist 6.71763 5.53778 5.93818 7.97801 6.83379 5.55906 numMergedOcc 0
15 mol 150 unq 1 iso 1 dist 5.53778 6.71763 5.93818 7.97801 5.55906 6.83379 numMergedOcc 0
16 mol 150 unq 1 iso 0 dist 9.32504 5.53778 12.4343 7.97801 12.2713 5.55906 numMergedOcc 0
17 mol 150 unq 1 iso 1 dist 5.53778 9.32504 12.4343 7.97801 5.55906 12.2713 numMergedOcc 0
18 mol 155 unq 0 iso 0 dist 6.53806 8.47335 5.33649 9.89699 5.15684 5.93897 numMergedOcc 0
19 mol 155 unq 0 iso 1 dist 8.47335 6.53806 5.33649 9.89699 5.93897 5.15684 numMergedOcc 0
20 mol 155 unq 1 iso 0 dist 6.53806 8.47335 5.33649 9.16944 5.84938 6.87053 numMergedOcc 0
21 mol 155 unq 1 iso 1 dist 8.47335 6.53806 5.33649 9.16944 6.87053 5.84938 numMergedOcc 0
22 mol 183 unq 0 iso 0 dist 5.83335 9.92635 14.4206 7.42108 6.39381 16.8061 numMergedOcc 0
23 mol 183 unq 0 iso 1 dist 9.92635 5.83335 14.4206 7.42108 16.8061 6.39381 numMergedOcc 0
24 mol 197 unq 0 iso 0 dist 7.56537 9.89975 7.28269 9.62514 10.1284 16.3081 numMergedOcc 0
25 mol 197 unq 0 iso 1 dist 9.89975 7.56537 7.28269 9.62514 16.3081 10.1284 numMergedOcc 0
26 mol 219 unq 0 iso 0 dist 9.52151 8.62654 16.4807 7.15624 10.277 10.2112 numMergedOcc 0
27 mol 219 unq 0 iso 1 dist 8.62654 9.52151 16.4807 7.15624 10.2112 10.277 numMergedOcc 0
28 mol 245 unq 0 iso 0 dist 6.58637 5.48167 6.22658 8.48687 5.77932 4.45879 numMergedOcc 0
29 mol 245 unq 0 iso 1 dist 5.48167 6.58637 6.22658 8.48687 4.45879 5.77932 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 7.97113 5.22111 4.70261 8.46351 11.1732 9.53336 numMergedOcc 0
31 mol 259 unq 0 iso 1 dist 5.22111 7.97113 4.70261 8.46351 9.53336 11.1732 numMergedOcc 0
32 mol 274 unq 0 iso 0 dist 8.26851 8.14634 5.09461 8.62431 4.05661 7.47324 numMergedOcc 0
33 mol 274 unq 0 iso 1 dist 8.14634 8.26851 5.09461 8.62431 7.47324 4.05661 numMergedOcc 0
