0 mol 12 unq 0 iso 0 dist 9.42122 5.76006 7.24704 6.5386 12.8464 6.65398 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 9.42122 5.76006 7.24704 5.77108 12.1184 5.9021 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.38139 7.77714 5.24524 13.11 10.4777 6.01454 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 5.12277 6.71884 7.01781 4.13365 8.87369 9.30367 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 5.12277 6.71884 7.01781 12.3731 12.158 6.67079 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 9.23164 8.00221 12.9597 13.2356 19.9277 7.8986 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 9.23164 8.00221 12.9597 9.65826 15.9145 7.24183 numMergedOcc 0
7 mol 64 unq 2 iso 0 dist 9.23164 5.65519 7.95967 6.25629 13.4094 6.17846 numMergedOcc 0
8 mol 64 unq 3 iso 0 dist 9.23164 5.65519 7.95967 7.26196 10.3662 6.08228 numMergedOcc 0
9 mol 64 unq 4 iso 0 dist 9.23164 5.65519 7.95967 7.27834 6.27017 9.86958 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 8.55624 6.98876 5.36674 6.70235 9.09555 5.61016 numMergedOcc 0
11 mol 108 unq 0 iso 0 dist 9.81705 6.29966 5.53449 11.6785 14.4591 9.32474 numMergedOcc 0
12 mol 108 unq 1 iso 0 dist 6.32309 9.31725 5.53449 18.4744 14.4591 9.32474 numMergedOcc 0
13 mol 108 unq 2 iso 0 dist 8.60437 9.57358 5.53449 17.9911 14.4591 9.32474 numMergedOcc 0
14 mol 108 unq 3 iso 0 dist 5.8711 5.38329 6.97518 8.02422 10.7391 9.32474 numMergedOcc 0
15 mol 108 unq 4 iso 0 dist 5.8711 7.62421 4.62224 8.02422 10.7391 8.80334 numMergedOcc 0
16 mol 111 unq 0 iso 0 dist 5.68841 5.05141 6.48732 10.2176 14.5719 8.83191 numMergedOcc 0
17 mol 132 unq 0 iso 0 dist 8.78382 7.79845 9.98904 6.84485 5.52837 8.15549 numMergedOcc 0
18 mol 140 unq 0 iso 0 dist 8.15605 9.83976 4.56374 5.14081 8.72216 8.05043 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 7.39164 5.34832 7.53305 12.6902 16.5304 9.45847 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 9.64578 7.90449 16.8167 5.28237 12.3147 5.38325 numMergedOcc 0
21 mol 239 unq 1 iso 0 dist 7.02833 7.90449 10.7857 5.28237 10.1672 5.38325 numMergedOcc 0
22 mol 283 unq 0 iso 0 dist 9.74822 5.78449 5.08363 5.96063 9.16563 7.88405 numMergedOcc 0
