0 mol 26 unq 0 iso 0 dist 9.43688 7.34549 6.4487 14.0065 11.4622 8.44506 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.64424 7.34549 4.52042 14.0065 12.3309 8.44506 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 8.97337 8.09068 6.4487 8.26538 11.4622 8.44506 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 7.04006 9.72289 6.4487 10.9934 11.4622 8.44506 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 5.25083 7.63534 6.71804 7.28582 9.42735 4.79949 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 5.25083 7.63534 6.71804 8.88157 9.98078 7.27693 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 9.27407 9.10877 11.0971 3.74136 5.89661 9.4523 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 7.52211 9.23551 13.5764 5.78019 11.7393 6.28351 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 8.99149 7.15963 5.65167 4.41466 6.86144 6.51749 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 8.41494 8.16369 5.93294 12.1694 5.31166 7.24795 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 9.69695 6.20646 5.43761 8.75405 11.7602 6.85441 numMergedOcc 0
11 mol 204 unq 1 iso 0 dist 8.18287 6.73266 5.43761 7.32929 11.7602 6.85441 numMergedOcc 0
12 mol 234 unq 0 iso 0 dist 9.24896 6.15754 7.01488 14.1265 9.91928 8.24186 numMergedOcc 0
13 mol 234 unq 1 iso 0 dist 9.24896 8.9413 7.54044 14.1265 9.91928 7.5366 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 9.42047 5.99187 5.17954 8.22473 10.4767 5.64181 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 9.42047 9.93378 10.061 8.22473 10.4767 7.61393 numMergedOcc 0
16 mol 257 unq 0 iso 0 dist 8.5835 7.80336 6.64096 10.369 8.14632 9.95546 numMergedOcc 0
17 mol 257 unq 1 iso 0 dist 7.86554 8.95261 12.6476 14.4618 18.395 9.95546 numMergedOcc 0
18 mol 271 unq 0 iso 0 dist 8.17953 7.06108 6.54748 4.87782 11.6827 9.29599 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 9.4945 6.70123 7.0797 5.16567 9.06496 6.57903 numMergedOcc 0
