0 mol 5 unq 0 iso 0 dist 6.14476 9.71469 5.70163 4.70478 8.34817 8.94088 numMergedOcc 0
1 mol 13 unq 0 iso 0 dist 7.42612 6.79244 8.59991 6.791 8.27119 4.23128 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 6.09002 9.17494 9.38691 7.06175 7.99756 13.1875 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 6.09002 9.17494 9.38691 3.79581 4.36087 8.26217 numMergedOcc 0
4 mol 20 unq 2 iso 0 dist 6.09002 10.5109 8.65986 7.06175 7.99756 14.6805 numMergedOcc 0
5 mol 20 unq 3 iso 0 dist 6.09002 10.5109 8.65986 3.79581 4.36087 9.51548 numMergedOcc 0
6 mol 20 unq 4 iso 0 dist 6.09002 13.0651 9.74724 7.06175 7.99756 15.502 numMergedOcc 0
7 mol 20 unq 5 iso 0 dist 6.09002 13.0651 9.74724 3.79581 4.36087 10.9502 numMergedOcc 0
8 mol 123 unq 0 iso 0 dist 8.111 15.1597 8.24171 4.1335 4.14492 11.3179 numMergedOcc 0
9 mol 123 unq 1 iso 0 dist 8.111 9.43434 5.38148 4.1335 4.14492 7.20593 numMergedOcc 0
10 mol 123 unq 2 iso 0 dist 8.111 9.21204 6.63094 4.1335 4.14492 6.48535 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 5.90765 10.2942 9.64977 3.90244 8.92135 9.48084 numMergedOcc 0
12 mol 194 unq 0 iso 0 dist 9.38984 11.9992 8.93352 13.9836 5.89939 6.8892 numMergedOcc 0
13 mol 194 unq 1 iso 0 dist 9.38984 11.9992 8.93352 13.9116 8.18853 9.3765 numMergedOcc 0
14 mol 194 unq 2 iso 0 dist 9.91118 15.2884 8.93352 15.5573 5.89939 6.8892 numMergedOcc 0
15 mol 194 unq 3 iso 0 dist 9.91118 15.2884 8.93352 16.1172 8.18853 9.3765 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 5.1609 8.6493 8.47836 6.84862 8.88902 10.308 numMergedOcc 0
17 mol 231 unq 0 iso 0 dist 7.3268 6.58152 5.45266 4.15084 8.48015 5.49654 numMergedOcc 0
18 mol 231 unq 1 iso 0 dist 7.3268 9.72658 9.02803 4.15084 8.48015 6.5259 numMergedOcc 0
19 mol 252 unq 0 iso 0 dist 8.55044 5.8401 8.63893 12.2555 9.81261 9.49612 numMergedOcc 0
20 mol 253 unq 0 iso 0 dist 8.94786 7.05009 9.01486 10.1605 9.454 4.4747 numMergedOcc 0
21 mol 278 unq 0 iso 0 dist 5.35705 7.0588 4.76359 10.0918 7.56691 4.4084 numMergedOcc 0
22 mol 278 unq 1 iso 0 dist 6.64378 3.65013 4.76359 6.48173 7.56691 4.4084 numMergedOcc 0
