0 mol 5 unq 0 iso 0 dist 9.68326 5.39051 4.98321 11.248 7.74636 6.98653 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.18111 7.44679 4.98321 13.8389 7.74636 6.98653 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 6.17708 4.16606 5.27182 7.03098 9.17793 5.16873 numMergedOcc 0
3 mol 39 unq 1 iso 0 dist 6.17708 5.28487 9.75289 7.03098 9.17793 3.66393 numMergedOcc 0
4 mol 39 unq 2 iso 0 dist 6.17708 8.4626 9.12545 7.03098 9.17793 3.08793 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 6.09085 10.6564 5.7369 11.023 5.64092 3.74917 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 6.09085 10.6564 5.7369 8.24064 8.71074 10.1736 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 5.91019 13.2897 8.46627 4.05022 4.27766 10.0644 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 5.91019 14.1134 9.22208 4.05022 4.27766 12.1501 numMergedOcc 0
9 mol 184 unq 0 iso 0 dist 8.09403 8.04827 4.61596 9.24858 5.23187 3.74437 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 9.00537 12.9635 8.5672 16.5552 9.17458 5.53349 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 9.00537 12.9635 8.5672 14.3824 7.36794 4.65666 numMergedOcc 0
12 mol 186 unq 2 iso 0 dist 8.9388 4.68208 8.5672 9.09753 9.17458 5.53349 numMergedOcc 0
13 mol 186 unq 3 iso 0 dist 8.9388 4.68208 8.5672 6.7472 7.36794 4.65666 numMergedOcc 0
14 mol 186 unq 4 iso 0 dist 8.95209 13.1688 8.36129 4.59453 9.4366 10.872 numMergedOcc 0
15 mol 186 unq 5 iso 0 dist 8.95209 12.4508 5.86483 4.59453 9.4366 11.366 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 6.51936 5.10199 5.00369 10.816 7.33774 5.80328 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 6.51936 5.10199 5.00369 4.27546 6.39122 3.68217 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 5.56977 10.4985 9.43017 6.35783 8.7434 10.9158 numMergedOcc 0
19 mol 214 unq 1 iso 0 dist 6.28826 10.996 8.25329 12.7192 8.49349 3.14057 numMergedOcc 0
20 mol 214 unq 2 iso 0 dist 6.28826 10.996 8.25329 4.26898 6.50654 8.88633 numMergedOcc 0
21 mol 214 unq 3 iso 0 dist 6.28826 5.055 4.85332 12.7192 8.49349 7.87816 numMergedOcc 0
22 mol 214 unq 4 iso 0 dist 6.28826 5.055 4.85332 4.26898 6.50654 3.64285 numMergedOcc 0
23 mol 217 unq 0 iso 0 dist 8.28155 12.1239 9.37602 5.14513 6.19602 10.2731 numMergedOcc 0
24 mol 217 unq 1 iso 0 dist 8.28155 9.1242 8.26522 5.14513 6.19602 4.56185 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 8.63804 6.42324 8.14294 11.3307 8.88902 10.1968 numMergedOcc 0
26 mol 233 unq 0 iso 0 dist 6.0751 6.49444 9.01338 5.31235 8.4338 8.6503 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 6.92276 7.00699 8.85214 5.7279 8.60314 11.9521 numMergedOcc 0
28 mol 235 unq 1 iso 0 dist 6.92276 7.69605 5.1874 5.7279 8.60314 11.8913 numMergedOcc 0
29 mol 235 unq 2 iso 0 dist 8.75776 5.08355 8.85214 11.2299 8.60314 11.9521 numMergedOcc 0
30 mol 235 unq 3 iso 0 dist 8.75776 6.1439 5.1874 11.2299 8.60314 11.8913 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 9.22453 10.3171 7.16209 9.7252 5.13533 5.9732 numMergedOcc 0
32 mol 277 unq 1 iso 0 dist 9.22453 10.6814 4.62936 9.7252 5.13533 3.79766 numMergedOcc 0
