0 mol 19 unq 0 iso 0 dist 5.36258 9.47909 12.9293 8.15772 12.2839 7.14945 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 5.36258 9.47909 12.9293 6.57145 8.23643 6.50337 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.18002 9.00217 10.4344 14.94 16.5849 9.18809 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 7.07032 9.00217 10.593 14.94 19.1521 9.18809 numMergedOcc 0
4 mol 107 unq 0 iso 0 dist 9.31826 6.99676 4.91158 13.5052 8.40312 7.02709 numMergedOcc 0
5 mol 116 unq 0 iso 0 dist 9.78909 8.81935 9.96185 6.29219 14.9085 9.69962 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 7.41608 7.43445 6.69435 6.24736 10.2144 8.20715 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 7.41608 7.43445 6.69435 5.81718 9.80862 6.16081 numMergedOcc 0
8 mol 119 unq 2 iso 0 dist 6.36583 7.43445 4.15435 6.24736 6.19042 8.20715 numMergedOcc 0
9 mol 119 unq 3 iso 0 dist 6.36583 7.43445 4.15435 5.81718 8.43904 6.16081 numMergedOcc 0
10 mol 158 unq 0 iso 0 dist 8.37022 9.07685 11.4756 5.23723 11.8812 6.64326 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 5.80433 5.84716 6.30424 7.82249 11.2582 9.37545 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 5.80433 5.84716 6.30424 9.09826 11.2011 6.02579 numMergedOcc 0
13 mol 186 unq 2 iso 0 dist 6.8285 5.84716 4.07457 7.82249 12.6584 9.37545 numMergedOcc 0
14 mol 186 unq 3 iso 0 dist 6.8285 5.84716 4.07457 9.09826 10.088 6.02579 numMergedOcc 0
15 mol 186 unq 4 iso 0 dist 6.49786 5.88987 6.30424 5.47219 11.2582 9.37545 numMergedOcc 0
16 mol 186 unq 5 iso 0 dist 6.49786 5.88987 6.30424 6.51869 11.2011 6.02579 numMergedOcc 0
17 mol 186 unq 6 iso 0 dist 8.43154 5.88987 4.07457 5.47219 12.6584 9.37545 numMergedOcc 0
18 mol 186 unq 7 iso 0 dist 8.43154 5.88987 4.07457 6.51869 10.088 6.02579 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 9.5964 5.99766 5.27054 8.21044 14.6844 9.62822 numMergedOcc 0
20 mol 206 unq 1 iso 0 dist 9.5964 5.99766 5.27054 8.05113 11.9754 7.03546 numMergedOcc 0
21 mol 210 unq 0 iso 0 dist 9.58853 8.86708 12.6488 7.52343 14.2473 5.62219 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 5.00266 6.57898 3.91203 6.19375 6.99002 4.96654 numMergedOcc 0
23 mol 281 unq 0 iso 0 dist 7.82968 5.46236 4.91991 5.81338 10.0734 6.49441 numMergedOcc 0
24 mol 282 unq 0 iso 0 dist 7.10557 8.64115 10.9494 14.9374 19.3567 8.76788 numMergedOcc 0
25 mol 283 unq 0 iso 0 dist 9.54992 6.69313 9.29492 11.2636 17.42 8.25636 numMergedOcc 0
