0 mol 19 unq 0 iso 0 dist 8.82056 7.21217 9.69454 13.2543 6.92576 9.65404 numMergedOcc 0
1 mol 60 unq 0 iso 0 dist 8.46609 4.46881 5.83937 12.4643 10.6998 8.62884 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 6.31203 8.63221 7.49054 11.2162 6.23291 8.21858 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 9.35212 6.2537 7.38759 8.80424 6.89206 6.87293 numMergedOcc 0
4 mol 108 unq 0 iso 0 dist 5.45787 6.97518 7.29462 13.5861 12.8858 7.52802 numMergedOcc 0
5 mol 108 unq 1 iso 0 dist 5.45787 6.97518 7.29462 13.0208 9.53351 8.1971 numMergedOcc 0
6 mol 108 unq 2 iso 0 dist 5.45787 6.97518 7.29462 12.8331 12.0135 7.84262 numMergedOcc 0
7 mol 108 unq 3 iso 0 dist 5.45787 4.62224 5.4057 12.8331 12.0135 9.29208 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 8.93253 9.6516 7.21229 15.2279 12.0587 7.24538 numMergedOcc 0
9 mol 110 unq 1 iso 0 dist 8.1306 9.6516 5.25492 15.2279 8.6616 7.24538 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 7.94863 4.59384 7.83619 9.79676 11.8666 6.00391 numMergedOcc 0
11 mol 130 unq 1 iso 0 dist 7.94863 4.59384 7.83619 11.1743 5.15286 9.70695 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 9.05674 5.48547 8.84018 13.3866 14.8033 8.60913 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 7.14849 7.17894 8.0974 13.9281 15.6558 7.69328 numMergedOcc 0
14 mol 178 unq 1 iso 0 dist 8.63718 15.0874 8.0974 22.1747 15.6558 7.69328 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 9.61379 13.0098 6.56437 11.3088 5.41021 5.90784 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 9.61379 5.1945 9.53131 11.3088 5.41021 8.50322 numMergedOcc 0
17 mol 224 unq 2 iso 0 dist 8.47457 5.57 7.39839 9.47309 13.2364 5.90784 numMergedOcc 0
18 mol 224 unq 3 iso 0 dist 8.47457 5.57 7.39839 12.6808 9.40389 8.50322 numMergedOcc 0
19 mol 257 unq 0 iso 0 dist 8.95261 13.3046 5.36776 8.42116 5.86413 6.75578 numMergedOcc 0
20 mol 257 unq 1 iso 0 dist 7.80336 11.62 5.36776 8.53984 5.86413 6.75578 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 5.29682 4.98212 6.77279 8.87598 6.59107 6.13752 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 6.20344 4.98212 9.58006 8.87598 11.1778 6.13752 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 7.63115 7.675 8.13489 15.4887 10.2086 9.77593 numMergedOcc 0
