0 mol 7 unq 0 iso 0 dist 5.51421 10.6104 8.41585 4.7739 5.99459 6.88805 11.3302 7.15287 6.22892 9.96415 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.89666 4.73237 4.61088 6.74026 6.54358 4.10106 10.2222 5.9863 6.40513 9.33059 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.76968 12.1754 7.63133 5.36195 8.43054 9.81307 13.1436 5.66097 7.46752 12.8674 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 6.58793 7.83419 7.66905 6.97936 7.7068 5.59906 7.61312 3.85308 9.22376 10.8478 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 9.72689 13.7794 9.36773 10.0429 7.80898 12.1193 20.5555 13.1838 7.76275 15.8947 numMergedOcc 0
5 mol 88 unq 1 iso 0 dist 7.74197 4.0486 9.36773 11.151 7.80898 12.1193 5.74637 13.1838 7.76275 15.8947 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 9.65047 5.69671 8.03644 8.55456 9.3948 11.3215 10.6171 15.4217 8.26838 18.674 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 9.65047 5.69671 8.03644 3.84879 9.74607 5.06946 10.6171 15.4217 8.26838 11.3773 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 5.02717 5.28901 7.30858 5.33827 7.69765 10.3209 10.2401 7.64822 7.44784 14.5979 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 5.02717 5.28901 7.30858 12.6105 9.42082 15.3161 10.2401 7.64822 7.44784 14.1895 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 5.02717 11.0268 7.88312 5.33827 7.69765 11.835 10.2401 7.64822 9.56867 14.5979 numMergedOcc 0
11 mol 115 unq 3 iso 0 dist 5.02717 11.0268 7.88312 12.6105 9.42082 6.07067 10.2401 7.64822 9.56867 14.1895 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 6.18763 5.3154 6.18601 5.92411 8.95212 4.39676 9.82219 4.99061 6.85677 10.7143 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 9.60065 7.36975 13.1926 14.0167 6.3915 5.30872 12.82 numMergedOcc 0
14 mol 143 unq 1 iso 0 dist 8.30654 11.3469 5.99315 4.68518 5.40637 7.39837 14.0167 6.3915 5.30872 9.84746 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 9.84952 12.9554 7.63312 7.19461 6.64173 10.6474 16.849 12.5935 9.63295 17.7213 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 9.84952 12.9554 7.63312 9.77747 9.01624 5.93724 16.849 12.5935 9.63295 8.39573 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 9.84952 12.9554 7.63312 10.0615 9.55105 5.12833 16.849 12.5935 9.63295 11.1521 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 4.91709 5.56538 6.84862 11.4498 9.97859 8.69148 13.422 numMergedOcc 0
19 mol 222 unq 1 iso 0 dist 7.85877 4.82768 7.21333 5.96186 7.48954 9.53117 11.4498 9.97859 8.69148 15.096 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 5.90645 10.4985 8.13497 9.54522 9.07743 8.8603 12.4319 10.908 6.96379 15.148 numMergedOcc 0
21 mol 272 unq 0 iso 0 dist 9.64596 5.26991 8.48753 3.7218 6.44147 5.12237 7.38085 4.78295 8.82094 5.38409 numMergedOcc 0
22 mol 272 unq 1 iso 0 dist 9.64596 5.26991 8.48753 3.7218 6.44147 5.12237 11.6897 8.26567 9.80332 8.45524 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 9.29635 10.8075 9.7748 12.7269 9.35539 11.4555 6.70414 5.77904 8.35794 13.222 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 9.29635 10.8075 9.7748 12.2421 8.9682 17.6038 6.70414 5.77904 8.35794 9.91103 numMergedOcc 0
25 mol 277 unq 2 iso 0 dist 9.29635 10.8075 9.7748 10.9521 6.92711 14.772 6.70414 5.77904 8.35794 7.0603 numMergedOcc 0
