0 mol 33 unq 0 iso 0 dist 8.87925 12.3928 7.14232 7.55858 7.00648 5.9818 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.06275 6.41579 8.38387 8.60781 9.83618 6.35048 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.90024 14.9559 8.38387 12.664 9.83618 6.35048 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 9.81637 9.37897 6.36193 10.5083 9.64665 6.05206 numMergedOcc 0
4 mol 74 unq 0 iso 0 dist 9.32783 5.6967 9.99155 5.2745 8.96501 3.94075 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 8.49531 4.84407 8.69069 6.33328 8.67367 4.41983 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 9.26438 9.97562 8.3164 10.7144 5.87358 5.49138 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 6.43255 13.5611 8.3164 9.77909 5.87358 5.49138 numMergedOcc 0
8 mol 109 unq 2 iso 0 dist 7.4389 13.6781 8.3164 8.77144 5.87358 5.49138 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.84656 18.3189 9.60411 13.386 5.42582 6.27009 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 8.34839 6.11789 8.07256 4.99991 9.13561 6.51591 numMergedOcc 0
11 mol 176 unq 0 iso 0 dist 8.78509 13.7707 7.30954 12.1262 8.61331 4.20839 numMergedOcc 0
12 mol 187 unq 0 iso 0 dist 9.38169 10.2744 9.36086 5.11961 9.27478 5.94354 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 9.79816 16.0359 7.73315 5.5349 8.53199 12.9902 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 6.45574 9.7911 8.48065 5.61388 8.21247 5.52698 numMergedOcc 0
15 mol 235 unq 1 iso 0 dist 8.14407 10.656 8.48065 6.59128 8.21247 5.52698 numMergedOcc 0
16 mol 235 unq 2 iso 0 dist 7.8128 12.3178 9.11256 7.62542 9.58736 14.9183 numMergedOcc 0
17 mol 235 unq 3 iso 0 dist 7.8128 4.27313 7.08539 7.62542 9.58736 4.28284 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 5.77925 8.55909 8.90987 11.3746 7.17676 14.3961 numMergedOcc 0
19 mol 236 unq 1 iso 0 dist 5.77925 8.55909 8.90987 5.79263 6.68463 12.7435 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 9.39537 6.43015 6.24928 7.28423 6.91569 6.66018 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 7.37999 9.36659 8.43858 11.9746 9.0012 12.5468 numMergedOcc 0
22 mol 264 unq 1 iso 0 dist 7.37999 9.36659 8.43858 11.2015 9.5784 15.8008 numMergedOcc 0
23 mol 264 unq 2 iso 0 dist 7.36703 6.52963 8.43858 7.25333 9.0012 12.5468 numMergedOcc 0
24 mol 264 unq 3 iso 0 dist 7.36703 6.52963 8.43858 10.3867 9.5784 15.8008 numMergedOcc 0
25 mol 265 unq 0 iso 0 dist 8.49415 8.73438 9.772 9.3596 6.34034 5.55314 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 7.23956 12.7088 9.29635 12.9898 9.41725 13.8592 numMergedOcc 0
