0 mol 0 unq 0 iso 0 dist 9.42137 14.5258 7.15528 12.1052 5.25456 9.5614 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.42137 14.5258 7.15528 16.2851 7.1599 5.55156 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 5.51421 10.6104 8.41585 11.3302 7.15287 6.22892 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 6.89666 4.73237 4.61088 10.2222 5.9863 6.40513 numMergedOcc 0
4 mol 11 unq 1 iso 0 dist 5.95165 3.77561 4.61088 12.4319 7.86896 9.23212 numMergedOcc 0
5 mol 14 unq 0 iso 0 dist 6.87018 5.45641 6.38364 10.6822 4.15151 8.91266 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 9.76968 12.1754 7.63133 13.1436 5.66097 7.46752 numMergedOcc 0
7 mol 16 unq 1 iso 0 dist 6.36377 4.78943 5.05803 7.979 5.72175 8.17898 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 13.6121 5.76725 6.35095 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 9.54519 5.80023 7.36323 10.5 5.75653 5.87895 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 6.65344 5.29688 6.85766 5.41134 6.34748 9.05547 numMergedOcc 0
11 mol 59 unq 1 iso 0 dist 7.7978 6.8958 7.17396 10.9901 8.94845 6.46655 numMergedOcc 0
12 mol 59 unq 2 iso 0 dist 9.55751 5.85228 7.17396 9.41952 8.94845 6.46655 numMergedOcc 0
13 mol 71 unq 0 iso 0 dist 7.35142 4.93292 7.38797 8.39608 5.87956 8.21553 numMergedOcc 0
14 mol 71 unq 1 iso 0 dist 9.50139 6.53623 7.38797 7.28815 5.87956 8.21553 numMergedOcc 0
15 mol 75 unq 0 iso 0 dist 6.95595 12.7957 7.79912 13.6061 6.77761 7.16583 numMergedOcc 0
16 mol 75 unq 1 iso 0 dist 6.95595 12.7957 7.79912 10.4728 5.06305 7.118 numMergedOcc 0
17 mol 75 unq 2 iso 0 dist 6.95595 10.309 8.56639 10.4728 5.06305 8.24814 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 6.58793 7.83419 7.66905 7.61312 3.85308 9.22376 numMergedOcc 0
19 mol 88 unq 0 iso 0 dist 9.72689 13.7794 9.36773 20.5555 13.1838 7.76275 numMergedOcc 0
20 mol 88 unq 1 iso 0 dist 7.74197 4.0486 9.36773 5.74637 13.1838 7.76275 numMergedOcc 0
21 mol 88 unq 2 iso 0 dist 7.86537 4.0486 8.31336 5.74637 12.6939 7.76275 numMergedOcc 0
22 mol 95 unq 0 iso 0 dist 9.65047 5.69671 8.03644 10.6171 15.4217 8.26838 numMergedOcc 0
23 mol 109 unq 0 iso 0 dist 8.73648 9.47324 7.34473 12.8615 6.43998 8.46734 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 5.02717 5.28901 7.30858 10.2401 7.64822 7.44784 numMergedOcc 0
25 mol 115 unq 1 iso 0 dist 5.02717 11.0268 7.88312 10.2401 7.64822 9.56867 numMergedOcc 0
26 mol 119 unq 0 iso 0 dist 6.18763 5.3154 6.18601 9.82219 4.99061 6.85677 numMergedOcc 0
27 mol 132 unq 0 iso 0 dist 8.7366 4.90475 7.7059 9.00166 6.04014 6.2403 numMergedOcc 0
28 mol 132 unq 1 iso 0 dist 8.7366 4.90475 7.7059 7.16287 10.0823 6.495 numMergedOcc 0
29 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 14.0167 6.3915 5.30872 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 9.84952 12.9554 7.63312 16.849 12.5935 9.63295 numMergedOcc 0
31 mol 210 unq 0 iso 0 dist 8.62103 3.84723 6.18308 5.33103 11.5481 6.53736 numMergedOcc 0
32 mol 210 unq 1 iso 0 dist 8.62103 3.84723 6.18308 9.01301 8.72811 8.18851 numMergedOcc 0
33 mol 214 unq 0 iso 0 dist 4.84709 4.55245 8.82096 11.277 14.5108 9.4835 numMergedOcc 0
34 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 11.4498 9.97859 8.69148 numMergedOcc 0
35 mol 224 unq 0 iso 0 dist 8.39002 9.98893 8.95269 14.5968 11.4653 4.79841 numMergedOcc 0
36 mol 224 unq 1 iso 0 dist 8.46129 6.31508 6.65832 10.0045 5.38198 7.25658 numMergedOcc 0
37 mol 231 unq 0 iso 0 dist 8.01942 8.55683 8.40182 14.4754 10.2117 9.98232 numMergedOcc 0
38 mol 232 unq 0 iso 0 dist 9.29752 9.60401 8.27212 14.7783 10.134 7.47238 numMergedOcc 0
39 mol 236 unq 0 iso 0 dist 9.89665 4.38595 6.84306 13.6852 4.88785 9.97357 numMergedOcc 0
40 mol 236 unq 1 iso 0 dist 9.89665 11.247 7.68742 13.6852 4.88785 6.36941 numMergedOcc 0
41 mol 236 unq 2 iso 0 dist 9.05929 4.38595 8.35971 13.6852 16.5918 9.97357 numMergedOcc 0
42 mol 236 unq 3 iso 0 dist 8.90987 16.8883 8.35971 13.6603 5.27568 6.73134 numMergedOcc 0
43 mol 236 unq 4 iso 0 dist 5.66569 11.2013 9.99038 8.20542 10.2557 9.97357 numMergedOcc 0
44 mol 236 unq 5 iso 0 dist 5.66569 4.15973 6.27581 8.20542 10.2557 6.36941 numMergedOcc 0
45 mol 236 unq 6 iso 0 dist 6.11137 15.1664 9.99038 12.2537 10.2557 9.97357 numMergedOcc 0
46 mol 236 unq 7 iso 0 dist 6.11137 9.01197 6.27581 12.2537 10.2557 6.36941 numMergedOcc 0
47 mol 239 unq 0 iso 0 dist 6.44212 7.97883 6.16342 15.8571 12.1502 9.27989 numMergedOcc 0
48 mol 241 unq 0 iso 0 dist 9.10633 7.20238 7.4631 10.9229 7.93809 6.40592 numMergedOcc 0
49 mol 253 unq 0 iso 0 dist 8.91612 5.11865 6.73034 12.3062 6.27022 7.71295 numMergedOcc 0
50 mol 258 unq 0 iso 0 dist 5.73834 7.52881 6.42289 12.3615 8.73372 7.9357 numMergedOcc 0
51 mol 258 unq 1 iso 0 dist 5.73834 7.52881 6.42289 9.52903 9.78068 8.81059 numMergedOcc 0
52 mol 259 unq 0 iso 0 dist 5.90645 10.4985 8.13497 12.4319 10.908 6.96379 numMergedOcc 0
53 mol 272 unq 0 iso 0 dist 9.64596 5.26991 8.48753 7.38085 4.78295 8.82094 numMergedOcc 0
54 mol 272 unq 1 iso 0 dist 9.64596 5.26991 8.48753 11.6897 8.26567 9.80332 numMergedOcc 0
55 mol 277 unq 0 iso 0 dist 9.29635 10.8075 9.7748 6.70414 5.77904 8.35794 numMergedOcc 0
