0 mol 55 unq 0 iso 0 dist 6.71884 9.95691 10.9362 14.1571 9.77301 18.4964 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 8.80424 9.35212 6.89206 10.7084 9.90177 13.2719 numMergedOcc 0
2 mol 98 unq 1 iso 0 dist 8.80424 9.35212 6.89206 6.2537 6.87293 7.38759 numMergedOcc 0
3 mol 110 unq 0 iso 0 dist 7.67702 7.2461 12.3557 6.69022 7.24538 11.4105 numMergedOcc 0
4 mol 110 unq 1 iso 0 dist 7.67702 9.26333 11.0242 6.69022 7.24538 12.1266 numMergedOcc 0
5 mol 111 unq 0 iso 0 dist 7.95205 7.42431 4.48869 4.53184 9.33168 10.7481 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 9.79676 7.94863 11.8666 4.59384 6.00391 7.83619 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 9.18505 8.94909 6.73114 7.75644 8.43088 11.5405 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 9.4588 8.84116 9.45235 9.55305 8.43722 14.3144 numMergedOcc 0
9 mol 186 unq 1 iso 0 dist 9.4588 8.16369 10.591 9.55305 8.43722 10.8081 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 9.4525 9.23844 12.7764 6.90885 5.34387 13.9785 numMergedOcc 0
11 mol 224 unq 0 iso 0 dist 9.47309 8.47457 13.2364 5.57 5.90784 7.39839 numMergedOcc 0
12 mol 257 unq 0 iso 0 dist 8.42116 8.95261 5.86413 13.3046 6.75578 5.36776 numMergedOcc 0
13 mol 257 unq 1 iso 0 dist 8.42116 8.95261 5.86413 15.9268 9.29499 9.82638 numMergedOcc 0
14 mol 257 unq 2 iso 0 dist 8.53984 7.80336 5.86413 11.62 6.75578 5.36776 numMergedOcc 0
15 mol 257 unq 3 iso 0 dist 8.53984 7.80336 5.86413 13.4207 9.29499 9.82638 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 8.87598 5.29682 6.59107 10.7991 9.29355 10.3594 numMergedOcc 0
17 mol 259 unq 1 iso 0 dist 8.87598 5.29682 6.59107 4.98212 6.13752 6.77279 numMergedOcc 0
18 mol 259 unq 2 iso 0 dist 8.87598 5.29682 6.59107 13.0438 7.87978 11.5101 numMergedOcc 0
19 mol 259 unq 3 iso 0 dist 8.87598 6.20344 11.1778 10.7991 9.29355 13.8212 numMergedOcc 0
20 mol 259 unq 4 iso 0 dist 8.87598 6.20344 11.1778 4.98212 6.13752 9.58006 numMergedOcc 0
21 mol 259 unq 5 iso 0 dist 8.87598 6.20344 11.1778 13.0438 7.87978 15.8133 numMergedOcc 0
