0 mol 9 unq 0 iso 0 dist 6.11048 7.42166 8.15337 5.67536 6.59312 11.0253 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.14998 6.10967 8.15337 6.96891 6.59312 11.0253 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.23075 7.6222 7.18124 5.11617 7.85986 3.4435 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.23075 14.8593 8.10168 5.11617 7.85986 15.6705 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 4.7841 7.6222 6.47026 4.50066 7.03544 9.4199 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 4.7841 7.6222 6.47026 5.11617 4.30252 3.4435 numMergedOcc 0
6 mol 123 unq 0 iso 0 dist 8.111 15.1597 8.24171 14.0935 7.30244 9.04448 numMergedOcc 0
7 mol 123 unq 1 iso 0 dist 8.111 9.43434 5.38148 14.0935 7.30244 5.25923 numMergedOcc 0
8 mol 123 unq 2 iso 0 dist 8.111 9.21204 6.63094 14.0935 7.30244 11.8191 numMergedOcc 0
9 mol 124 unq 0 iso 0 dist 8.57739 10.872 9.0745 8.8365 8.65859 10.4403 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 6.73617 9.58148 9.28718 8.93262 9.59327 6.67922 numMergedOcc 0
11 mol 157 unq 0 iso 0 dist 8.10592 6.55112 9.27485 9.7351 9.36663 6.20748 numMergedOcc 0
12 mol 157 unq 1 iso 0 dist 8.10592 3.8758 5.32542 9.7351 9.36663 8.07977 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 7.93088 5.05715 9.67872 4.20425 5.67088 8.06906 numMergedOcc 0
14 mol 162 unq 1 iso 0 dist 7.93088 5.05715 9.67872 6.45822 9.61332 11.3156 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 5.90765 10.2942 9.64977 8.98536 9.31569 15.9388 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 5.90765 10.2942 9.64977 7.30024 8.72743 4.04186 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 6.76495 7.84502 7.59138 4.66802 7.08328 3.63667 numMergedOcc 0
18 mol 258 unq 1 iso 0 dist 5.4557 9.31785 7.59138 6.93678 7.08328 3.63667 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 5.72327 6.2159 6.12608 7.8636 6.23115 11.7543 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 5.81301 4.39241 6.12608 9.87336 6.23115 11.7543 numMergedOcc 0
21 mol 277 unq 2 iso 0 dist 9.81201 8.47438 6.12608 11.4648 6.23115 11.7543 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 5.30118 7.57364 9.97939 6.56801 8.58427 12.4081 numMergedOcc 0
23 mol 287 unq 1 iso 0 dist 8.98698 3.99731 9.97939 10.1857 8.58427 12.4081 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 5.30118 7.57364 9.97939 6.56801 8.58427 12.4081 numMergedOcc 0
25 mol 288 unq 1 iso 0 dist 8.98698 3.99731 9.97939 10.1857 8.58427 12.4081 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 5.30118 7.57364 9.97939 6.56801 8.58427 12.4081 numMergedOcc 0
27 mol 289 unq 1 iso 0 dist 8.98698 3.99731 9.97939 10.1857 8.58427 12.4081 numMergedOcc 0
