0 mol 54 unq 0 iso 0 dist 7.51978 10.6355 9.5589 5.59128 5.02241 6.91765 7.34695 5.65405 14.4402 8.41365 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 7.51978 6.43082 6.83299 5.59128 5.02241 5.06052 7.34695 5.65405 10.5929 8.41365 numMergedOcc 0
2 mol 54 unq 2 iso 0 dist 7.51978 11.7347 8.10861 5.59128 5.02241 10.1332 7.34695 5.65405 6.54183 8.41365 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 7.67586 5.03832 6.85766 10.9894 6.71911 7.29033 17.1732 10.6897 13.4842 7.37607 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 7.67586 11.7065 7.71095 10.9894 6.71911 5.33688 17.1732 10.6897 10.4837 7.37607 numMergedOcc 0
5 mol 59 unq 2 iso 0 dist 8.97292 7.2878 6.85766 9.55542 6.71911 7.29033 11.585 10.6897 13.4842 7.37607 numMergedOcc 0
6 mol 59 unq 3 iso 0 dist 8.97292 14.1347 7.71095 9.55542 6.71911 5.33688 11.585 10.6897 10.4837 7.37607 numMergedOcc 0
7 mol 70 unq 0 iso 0 dist 9.74268 6.95018 9.65964 10.7301 7.92394 6.65811 12.4415 10.1412 13.783 9.76145 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 8.50904 8.09861 9.0018 14.6248 9.31887 11.0415 17.4353 10.5343 17.5589 9.15536 numMergedOcc 0
9 mol 175 unq 1 iso 0 dist 8.50904 10.1323 7.652 14.6248 9.31887 5.0384 17.4353 10.5343 11.5905 9.15536 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 9.25528 18.2027 9.1374 14.3955 6.94688 6.25083 12.9113 5.114 8.90247 9.30874 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 9.25528 18.2027 9.1374 15.6271 6.71012 4.77278 12.9113 5.114 8.90247 5.54873 numMergedOcc 0
12 mol 181 unq 2 iso 0 dist 9.25528 11.4901 5.98885 14.3955 6.94688 5.86342 12.9113 5.114 10.3907 9.30874 numMergedOcc 0
13 mol 181 unq 3 iso 0 dist 9.25528 11.4901 5.98885 15.6271 6.71012 9.14057 12.9113 5.114 10.3907 5.54873 numMergedOcc 0
14 mol 181 unq 4 iso 0 dist 9.25528 11.9545 9.15386 14.3955 6.94688 6.80228 12.9113 5.114 13.7299 9.30874 numMergedOcc 0
15 mol 181 unq 5 iso 0 dist 9.25528 11.9545 9.15386 15.6271 6.71012 11.6919 12.9113 5.114 13.7299 5.54873 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 7.92766 14.0488 7.10633 13.2566 5.90931 5.09262 11.5075 5.43761 9.55393 5.37579 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 7.92766 7.58285 8.51516 13.2566 5.90931 12.9483 11.5075 5.43761 13.9155 5.37579 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 7.36642 4.87114 6.03031 7.13867 9.19704 8.66809 13.4086 10.6362 12.9169 7.70781 numMergedOcc 0
19 mol 205 unq 1 iso 0 dist 7.36642 9.43922 7.26832 7.13867 9.19704 6.23291 13.4086 10.6362 6.15806 7.70781 numMergedOcc 0
20 mol 205 unq 2 iso 0 dist 7.36642 6.98312 7.80463 7.13867 9.19704 13.231 13.4086 10.6362 17.5925 7.70781 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 9.82174 10.4397 6.57393 12.5765 6.91569 10.9761 11.1305 6.53984 12.6391 5.72415 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 5.76077 9.0081 9.02271 10.6548 7.19465 7.92528 8.0425 7.07333 10.7144 6.52138 numMergedOcc 0
23 mol 253 unq 1 iso 0 dist 7.0247 10.9027 9.02271 3.494 7.19465 7.92528 7.0141 7.07333 10.7144 6.52138 numMergedOcc 0
24 mol 294 unq 0 iso 0 dist 7.1984 6.23921 8.15665 6.28374 9.03492 6.17102 8.70757 5.57044 5.18789 9.17225 numMergedOcc 0
