0 mol 20 unq 0 iso 0 dist 5.49589 9.79781 9.78224 14.852 11.148 9.35248 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 5.49589 9.79781 9.78224 16.9658 15.661 9.55415 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 7.66321 5.33296 8.48352 8.91798 9.19952 8.69158 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 8.13585 12.7874 8.96839 8.72535 6.15821 7.85573 numMergedOcc 0
4 mol 44 unq 1 iso 0 dist 8.13585 12.7874 8.96839 10.4533 3.37774 6.21423 numMergedOcc 0
5 mol 44 unq 2 iso 0 dist 9.84064 16.7991 8.96839 12.8419 6.15821 7.85573 numMergedOcc 0
6 mol 44 unq 3 iso 0 dist 9.84064 16.7991 8.96839 12.9307 3.37774 6.21423 numMergedOcc 0
7 mol 83 unq 0 iso 0 dist 7.0847 9.04451 7.40801 9.23036 3.9717 6.98121 numMergedOcc 0
8 mol 83 unq 1 iso 0 dist 5.8981 4.37097 7.40801 7.87915 3.9717 6.98121 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 9.74416 8.46662 9.21675 14.1553 9.66133 8.52125 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 9.64454 10.5049 9.21675 13.0351 9.66133 8.52125 numMergedOcc 0
11 mol 108 unq 0 iso 0 dist 5.25296 10.0925 9.01604 10.6947 6.62209 6.46069 numMergedOcc 0
12 mol 108 unq 1 iso 0 dist 6.55728 10.0925 5.37466 10.6947 4.3192 6.46069 numMergedOcc 0
13 mol 136 unq 0 iso 0 dist 8.17454 7.07073 9.23718 6.27434 9.85349 9.87222 numMergedOcc 0
14 mol 148 unq 0 iso 0 dist 9.62458 9.82008 8.78761 8.6499 3.78181 6.60739 numMergedOcc 0
15 mol 148 unq 1 iso 0 dist 9.62458 12.5069 5.69707 8.6499 3.78181 5.55129 numMergedOcc 0
16 mol 150 unq 0 iso 0 dist 9.64273 9.83293 8.75537 8.75339 3.72958 6.71763 numMergedOcc 0
17 mol 150 unq 1 iso 0 dist 9.64273 12.4366 5.62239 8.75339 3.72958 5.53778 numMergedOcc 0
18 mol 197 unq 0 iso 0 dist 9.46148 10.743 6.04056 11.386 5.52807 6.50727 numMergedOcc 0
19 mol 197 unq 1 iso 0 dist 9.46148 10.743 6.04056 12.5118 10.0758 7.84826 numMergedOcc 0
20 mol 197 unq 2 iso 0 dist 7.31278 10.743 5.5343 11.386 4.20442 6.50727 numMergedOcc 0
21 mol 197 unq 3 iso 0 dist 7.31278 10.743 5.5343 12.5118 6.9944 7.84826 numMergedOcc 0
22 mol 283 unq 0 iso 0 dist 5.34771 5.9309 5.7378 5.33054 3.27256 7.90132 numMergedOcc 0
23 mol 283 unq 1 iso 0 dist 9.40332 10.4657 5.7378 8.56376 3.27256 7.90132 numMergedOcc 0
