0 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 7.95042 5.69214 5.11636 6.58998 10.7114 6.72502 8.24948 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 8.86116 6.86014 10.0952 7.95042 5.11636 5.69214 6.58998 6.72502 10.7114 8.24948 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 6.75943 4.96926 5.41726 5.48048 8.44903 10.0649 7.15901 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 6.20293 5.73819 5.06502 6.75943 5.41726 4.96926 5.48048 10.0649 8.44903 7.15901 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 5.73819 8.93915 5.89973 6.75943 4.96926 10.0383 5.48048 8.44903 13.5072 7.15901 numMergedOcc 0
5 mol 43 unq 1 iso 1 dist 8.93915 5.73819 5.89973 6.75943 10.0383 4.96926 5.48048 13.5072 8.44903 7.15901 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 6.20293 8.93915 6.45462 6.75943 5.41726 10.0383 5.48048 10.0649 13.5072 7.15901 numMergedOcc 0
7 mol 43 unq 1 iso 1 dist 8.93915 6.20293 6.45462 6.75943 10.0383 5.41726 5.48048 13.5072 10.0649 7.15901 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.64012 9.4099 6.47414 9.08221 4.00553 8.55984 6.37648 7.27383 12.5444 6.87028 numMergedOcc 0
9 mol 58 unq 0 iso 1 dist 9.4099 6.64012 6.47414 9.08221 8.55984 4.00553 6.37648 12.5444 7.27383 6.87028 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 7.27724 8.03644 8.41707 9.3948 3.94537 11.3215 14.484 9.7126 18.067 7.27506 numMergedOcc 0
11 mol 95 unq 0 iso 1 dist 8.03644 7.27724 8.41707 9.3948 11.3215 3.94537 14.484 18.067 9.7126 7.27506 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 9.33094 7.41373 10.8635 9.4027 8.20836 10.873 5.11043 numMergedOcc 0
13 mol 134 unq 0 iso 1 dist 6.37586 8.94367 5.49782 9.33094 10.8635 7.41373 9.4027 10.873 8.20836 5.11043 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 8.94367 6.49416 8.80819 9.33094 7.41373 12.3479 9.4027 8.20836 13.846 5.11043 numMergedOcc 0
15 mol 134 unq 1 iso 1 dist 6.49416 8.94367 8.80819 9.33094 12.3479 7.41373 9.4027 13.846 8.20836 5.11043 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 6.37586 6.49416 5.00817 9.33094 10.8635 12.3479 9.4027 10.873 13.846 5.11043 numMergedOcc 0
17 mol 134 unq 1 iso 1 dist 6.49416 6.37586 5.00817 9.33094 12.3479 10.8635 9.4027 13.846 10.873 5.11043 numMergedOcc 0
18 mol 134 unq 2 iso 0 dist 9.86662 9.71307 5.49782 9.1998 12.8086 15.0225 5.12325 8.20836 10.873 6.99345 numMergedOcc 0
19 mol 134 unq 2 iso 1 dist 9.71307 9.86662 5.49782 9.1998 15.0225 12.8086 5.12325 10.873 8.20836 6.99345 numMergedOcc 0
20 mol 134 unq 3 iso 0 dist 9.86662 9.71307 5.49782 8.69531 7.41373 10.8635 5.12325 8.20836 10.873 5.11043 numMergedOcc 0
21 mol 134 unq 3 iso 1 dist 9.71307 9.86662 5.49782 8.69531 10.8635 7.41373 5.12325 10.873 8.20836 5.11043 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 6.70693 4.94983 5.39112 5.59336 8.35555 10.4911 7.1069 numMergedOcc 0
23 mol 152 unq 0 iso 1 dist 6.70283 5.87555 5.42328 6.70693 5.39112 4.94983 5.59336 10.4911 8.35555 7.1069 numMergedOcc 0
24 mol 152 unq 1 iso 0 dist 5.87555 8.67331 5.54906 6.70693 4.94983 9.67475 5.59336 8.35555 13.0858 7.1069 numMergedOcc 0
25 mol 152 unq 1 iso 1 dist 8.67331 5.87555 5.54906 6.70693 9.67475 4.94983 5.59336 13.0858 8.35555 7.1069 numMergedOcc 0
26 mol 152 unq 1 iso 0 dist 6.70283 8.67331 6.4896 6.70693 5.39112 9.67475 5.59336 10.4911 13.0858 7.1069 numMergedOcc 0
27 mol 152 unq 1 iso 1 dist 8.67331 6.70283 6.4896 6.70693 9.67475 5.39112 5.59336 13.0858 10.4911 7.1069 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 6.03031 7.26832 7.38516 6.52816 9.49403 13.514 5.54129 10.8209 10.0424 7.53395 numMergedOcc 0
29 mol 205 unq 0 iso 1 dist 7.26832 6.03031 7.38516 6.52816 13.514 9.49403 5.54129 10.0424 10.8209 7.53395 numMergedOcc 0
30 mol 205 unq 1 iso 0 dist 6.03031 7.80463 8.18714 6.52816 9.49403 3.56269 5.54129 10.8209 10.03 7.53395 numMergedOcc 0
31 mol 205 unq 1 iso 1 dist 7.80463 6.03031 8.18714 6.52816 3.56269 9.49403 5.54129 10.03 10.8209 7.53395 numMergedOcc 0
32 mol 205 unq 1 iso 0 dist 7.26832 7.80463 13.8543 6.52816 13.514 3.56269 5.54129 10.0424 10.03 7.53395 numMergedOcc 0
33 mol 205 unq 1 iso 1 dist 7.80463 7.26832 13.8543 6.52816 3.56269 13.514 5.54129 10.03 10.0424 7.53395 numMergedOcc 0
34 mol 222 unq 0 iso 0 dist 6.00706 7.54212 6.8425 6.74196 8.84507 12.8595 6.42798 7.862 12.5287 7.97027 numMergedOcc 0
35 mol 222 unq 0 iso 1 dist 7.54212 6.00706 6.8425 6.74196 12.8595 8.84507 6.42798 12.5287 7.862 7.97027 numMergedOcc 0
36 mol 222 unq 1 iso 0 dist 6.00706 7.54212 6.8425 8.36842 6.02502 12.5866 6.42798 7.862 12.5287 4.9876 numMergedOcc 0
37 mol 222 unq 1 iso 1 dist 7.54212 6.00706 6.8425 8.36842 12.5866 6.02502 6.42798 12.5287 7.862 4.9876 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 5.23634 5.0317 5.83175 10.5813 8.03442 12.2278 9.43618 numMergedOcc 0
39 mol 227 unq 0 iso 1 dist 7.09863 7.22101 4.39704 5.23634 5.83175 5.0317 10.5813 12.2278 8.03442 9.43618 numMergedOcc 0
40 mol 234 unq 0 iso 0 dist 9.45496 6.7625 7.82322 7.81215 12.4252 5.75498 11.113 18.9709 11.968 9.08151 numMergedOcc 0
41 mol 234 unq 0 iso 1 dist 6.7625 9.45496 7.82322 7.81215 5.75498 12.4252 11.113 11.968 18.9709 9.08151 numMergedOcc 0
