0 mol 15 unq 0 iso 0 dist 7.87072 6.16274 4.74688 7.16107 9.97769 8.82129 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 7.87072 9.55181 4.41883 7.16107 9.97769 8.111 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.50539 6.34277 5.8503 4.68147 5.77745 7.05196 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.83402 8.46842 5.59268 5.03904 8.27137 4.79873 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 6.49446 8.30291 11.1759 5.06459 7.30651 13.1382 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 5.8409 8.40871 7.17843 10.8182 7.32064 6.85523 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 5.8409 8.40871 7.17843 9.73666 5.24136 8.28423 numMergedOcc 0
7 mol 78 unq 2 iso 0 dist 5.8409 8.40871 7.17843 10.6235 6.44687 13.3131 numMergedOcc 0
8 mol 78 unq 3 iso 0 dist 5.8409 8.40871 7.17843 3.48199 5.85007 5.77326 numMergedOcc 0
9 mol 78 unq 4 iso 0 dist 8.13368 8.40871 4.4651 10.8182 4.62314 6.85523 numMergedOcc 0
10 mol 78 unq 5 iso 0 dist 8.13368 8.40871 4.4651 9.73666 4.41745 8.28423 numMergedOcc 0
11 mol 78 unq 6 iso 0 dist 8.13368 8.40871 4.4651 3.48199 6.35234 5.77326 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 4.3761 9.58693 8.91618 4.54306 5.33961 11.2061 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 4.3761 9.48388 12.3835 4.54306 5.33961 7.78931 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 5.84583 9.58693 12.9994 4.54306 5.08983 11.2061 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 5.84583 9.48388 4.96747 4.54306 5.08983 7.78931 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 4.76012 6.1421 6.43966 5.75588 6.53559 5.51197 numMergedOcc 0
17 mol 129 unq 1 iso 0 dist 4.76012 6.1421 6.43966 4.18263 7.90844 8.86944 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 9.87066 6.44766 5.59449 10.2997 9.10434 10.7579 numMergedOcc 0
19 mol 131 unq 1 iso 0 dist 7.56833 7.49404 5.6098 7.08715 9.10434 9.27976 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 8.22824 7.31419 5.73965 4.78701 8.78303 10.3432 numMergedOcc 0
21 mol 146 unq 0 iso 0 dist 9.5348 8.74283 8.76758 8.19476 6.93154 11.1134 numMergedOcc 0
22 mol 168 unq 0 iso 0 dist 9.03681 7.53748 9.8022 5.5458 8.53936 12.0682 numMergedOcc 0
23 mol 171 unq 0 iso 0 dist 8.30819 8.68992 10.5731 4.61696 6.51523 11.8153 numMergedOcc 0
24 mol 197 unq 0 iso 0 dist 8.05227 7.18765 7.56497 4.26432 6.0033 9.10817 numMergedOcc 0
25 mol 197 unq 1 iso 0 dist 8.05227 7.41091 5.66137 4.26432 6.0033 6.86828 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 6.17749 8.81925 4.82768 10.935 8.86886 12.0171 numMergedOcc 0
27 mol 233 unq 0 iso 0 dist 8.73545 4.94074 6.52848 14.2672 8.7831 14.3009 numMergedOcc 0
28 mol 233 unq 1 iso 0 dist 8.73545 4.94074 6.52848 14.2649 9.61071 14.2 numMergedOcc 0
29 mol 233 unq 2 iso 0 dist 8.73545 4.94074 6.52848 7.83075 7.1229 8.51625 numMergedOcc 0
30 mol 233 unq 3 iso 0 dist 8.14581 4.94074 5.51 7.83075 9.55705 8.51625 numMergedOcc 0
31 mol 264 unq 0 iso 0 dist 5.03174 8.43682 5.21164 4.66338 7.19658 9.19754 numMergedOcc 0
32 mol 264 unq 1 iso 0 dist 5.03174 6.20796 6.12009 4.66338 7.19658 8.29262 numMergedOcc 0
33 mol 264 unq 2 iso 0 dist 7.22743 7.73693 6.12009 10.3972 7.19658 8.29262 numMergedOcc 0
34 mol 270 unq 0 iso 0 dist 4.60602 9.02113 5.00269 4.65147 6.46935 9.31275 numMergedOcc 0
35 mol 270 unq 1 iso 0 dist 4.60602 9.02113 5.00269 7.14116 5.98384 8.56508 numMergedOcc 0
36 mol 292 unq 0 iso 0 dist 6.84909 6.02089 9.83514 4.77692 5.72473 10.1532 numMergedOcc 0
37 mol 292 unq 1 iso 0 dist 6.84909 6.87804 8.04474 4.77692 5.72473 7.20674 numMergedOcc 0
