0 mol 12 unq 0 iso 0 dist 6.6051 11.1322 9.23807 16.3736 10.4447 9.7652 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 8.15864 12.4138 9.23807 13.6768 10.4447 9.7652 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.40644 11.0398 7.66163 11.2709 5.13868 8.50475 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 9.40644 11.0398 7.66163 5.35252 5.43494 9.48288 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 5.35252 11.0398 9.48288 11.2709 6.26827 8.50475 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 5.35252 11.0398 9.48288 9.40644 5.43494 7.66163 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 5.06188 11.0408 9.16212 9.366 5.56042 7.1796 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 7.58027 10.9054 7.546 4.34694 3.73929 7.20403 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 4.34694 10.9054 7.20403 7.58027 3.73929 7.546 numMergedOcc 0
9 mol 105 unq 0 iso 0 dist 6.1083 10.2375 6.09256 16.1607 10.219 8.40598 numMergedOcc 0
10 mol 105 unq 1 iso 0 dist 6.11833 8.65154 8.40598 13.4095 10.219 6.09256 numMergedOcc 0
11 mol 105 unq 2 iso 0 dist 7.12201 11.2367 8.40598 15.3562 10.219 6.09256 numMergedOcc 0
12 mol 116 unq 0 iso 0 dist 6.53824 10.4136 8.3971 6.61973 4.48374 6.74026 numMergedOcc 0
13 mol 116 unq 1 iso 0 dist 6.61973 10.4136 6.74026 6.53824 4.48374 8.3971 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 7.91838 6.10456 4.65126 14.3462 7.68915 8.53237 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 7.82201 11.045 5.82124 12.9008 5.68826 8.31236 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 5.86911 5.74127 5.82124 7.89258 5.68826 8.31236 numMergedOcc 0
17 mol 214 unq 2 iso 0 dist 7.89258 5.74127 8.31236 5.86911 5.68826 5.82124 numMergedOcc 0
18 mol 229 unq 0 iso 0 dist 6.28935 4.65019 8.70049 8.4208 5.50813 9.55385 numMergedOcc 0
19 mol 229 unq 1 iso 0 dist 8.4208 4.65019 9.55385 6.28935 5.50813 8.70049 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 9.0836 8.25534 9.34312 13.9255 15.348 7.53905 numMergedOcc 0
21 mol 273 unq 0 iso 0 dist 5.78262 7.10817 9.16554 14.2673 12.9925 9.65597 numMergedOcc 0
22 mol 273 unq 1 iso 0 dist 5.78262 4.30863 8.83491 7.6489 8.60201 9.02711 numMergedOcc 0
23 mol 273 unq 2 iso 0 dist 7.6489 4.30863 9.02711 5.78262 8.60201 8.83491 numMergedOcc 0
24 mol 281 unq 0 iso 0 dist 4.75349 6.79166 7.85707 10.2849 7.54113 9.48474 numMergedOcc 0
