0 mol 5 unq 0 iso 0 dist 6.81899 7.12113 9.17088 6.28914 8.97274 12.8419 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.67459 6.30607 9.21978 9.50501 6.57633 6.43237 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 7.67459 9.69698 8.03754 9.50501 6.57633 8.6477 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 5.48997 9.32604 9.40333 11.1122 7.50377 7.50975 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 9.8089 11.524 8.0139 6.21234 8.4416 5.80367 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 9.8089 11.524 8.0139 7.08619 7.79538 10.1442 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 4.73804 7.72006 9.19659 7.15161 8.88752 5.84588 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 9.27341 9.50073 8.41774 10.2277 7.94976 7.68889 numMergedOcc 0
8 mol 155 unq 0 iso 0 dist 9.06599 4.97552 8.57712 10.541 8.99128 7.10286 numMergedOcc 0
9 mol 158 unq 0 iso 0 dist 8.95432 3.8949 9.99005 11.7299 7.68074 10.115 numMergedOcc 0
10 mol 158 unq 1 iso 0 dist 8.95432 3.8949 9.99005 17.16 9.1854 17.6575 numMergedOcc 0
11 mol 172 unq 0 iso 0 dist 7.77643 5.78278 9.18538 5.96894 8.03455 9.71456 numMergedOcc 0
12 mol 172 unq 1 iso 0 dist 4.90175 5.25252 9.18538 9.2371 8.03455 9.71456 numMergedOcc 0
13 mol 217 unq 0 iso 0 dist 7.95365 10.8814 6.23025 8.78812 7.00456 5.60586 numMergedOcc 0
14 mol 217 unq 1 iso 0 dist 7.95365 10.8814 6.23025 14.0642 8.99484 4.64118 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 7.75366 10.1036 4.80834 4.48114 5.52788 7.06793 numMergedOcc 0
16 mol 243 unq 0 iso 0 dist 8.1195 5.74171 9.35819 8.8719 8.89434 5.62653 numMergedOcc 0
17 mol 244 unq 0 iso 0 dist 6.2667 8.82711 9.21656 4.69103 8.93589 6.1597 numMergedOcc 0
18 mol 267 unq 0 iso 0 dist 5.72144 6.40111 9.44648 5.35674 9.58438 9.72229 numMergedOcc 0
19 mol 267 unq 1 iso 0 dist 6.79491 5.75453 9.44648 9.80917 9.58438 9.72229 numMergedOcc 0
20 mol 271 unq 0 iso 0 dist 5.76281 5.31774 9.42899 7.4613 9.86908 11.7592 numMergedOcc 0
