0 mol 4 unq 0 iso 0 dist 7.09907 12.8788 8.57798 8.92676 7.72343 5.13137 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.18109 7.84627 9.52614 5.80438 6.40741 7.54933 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 9.18109 7.84627 9.52614 4.49056 9.31366 5.10934 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 8.55031 16.2136 9.7218 5.65462 9.81193 14.5376 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 7.89201 4.55823 7.07849 3.72318 9.22331 7.25012 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 6.98121 7.25431 7.02558 5.93743 9.50228 5.18016 numMergedOcc 0
6 mol 83 unq 1 iso 0 dist 6.98121 6.04275 8.81183 5.93743 9.50228 10.0012 numMergedOcc 0
7 mol 108 unq 0 iso 0 dist 5.52402 9.11693 7.52802 5.97199 6.80069 3.82616 numMergedOcc 0
8 mol 108 unq 1 iso 0 dist 5.52402 5.29491 8.1971 5.97199 6.80069 7.52989 numMergedOcc 0
9 mol 108 unq 2 iso 0 dist 5.52402 9.40297 7.84262 5.97199 6.80069 11.1894 numMergedOcc 0
10 mol 108 unq 3 iso 0 dist 6.79804 6.94601 7.52802 6.62194 6.80069 3.82616 numMergedOcc 0
11 mol 108 unq 4 iso 0 dist 6.79804 5.49549 8.1971 6.62194 6.80069 7.52989 numMergedOcc 0
12 mol 108 unq 5 iso 0 dist 6.79804 5.53105 7.84262 6.62194 6.80069 11.1894 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 6.30128 4.874 9.45513 12.1893 9.75656 14.7439 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 5.28955 4.07356 8.09095 4.09788 6.13508 6.4025 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 9.44788 4.46648 9.40633 6.49348 5.58734 6.25204 numMergedOcc 0
16 mol 119 unq 2 iso 0 dist 9.44788 9.33725 9.42432 6.49348 5.58734 4.90636 numMergedOcc 0
17 mol 119 unq 3 iso 0 dist 9.44788 10.872 9.22776 6.49348 5.58734 5.8134 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 6.85651 11.5618 8.60913 14.4497 8.70392 6.21732 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 7.03858 5.74462 8.60913 9.26708 8.70392 6.21732 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 5.46716 11.6391 8.99696 6.3462 5.75595 6.48478 numMergedOcc 0
21 mol 183 unq 0 iso 0 dist 9.92635 13.9974 8.74697 8.96895 5.5781 8.80123 numMergedOcc 0
22 mol 183 unq 1 iso 0 dist 7.85507 10.3061 8.74697 6.57004 5.5781 8.80123 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 8.56656 11.4822 9.79058 9.07051 9.28818 6.64413 numMergedOcc 0
24 mol 256 unq 0 iso 0 dist 9.37687 5.57318 9.7777 15.2988 7.40057 13.8422 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 5.98006 5.30516 6.13752 5.61261 9.69025 10.5467 numMergedOcc 0
26 mol 278 unq 0 iso 0 dist 6.83278 4.47399 5.12827 4.74121 8.20933 5.39083 numMergedOcc 0
