0 mol 0 unq 0 iso 0 dist 9.23213 7.40865 9.30151 12.9149 8.66548 16.5244 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 6.36911 9.68596 13.0969 6.88805 8.81608 10.3333 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.85412 9.62394 4.45625 5.84314 9.71516 10.9352 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 6.33889 9.62394 6.0397 5.84314 9.81658 10.9352 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 9.29358 5.89412 6.19131 6.91314 9.51568 6.23015 numMergedOcc 0
5 mol 21 unq 0 iso 0 dist 6.08338 9.06424 10.2036 14.0241 9.35562 14.491 numMergedOcc 0
6 mol 21 unq 1 iso 0 dist 6.08338 9.06424 10.2036 4.20001 8.63857 13.0295 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 8.82012 6.46104 4.98603 5.56139 5.84066 6.07276 numMergedOcc 0
8 mol 32 unq 0 iso 0 dist 8.68559 7.99969 7.14527 10.7345 7.11053 11.636 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 8.26899 7.21955 10.8421 6.20618 7.60018 12.6602 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 8.26899 7.21955 10.8421 5.61579 7.03126 10.4354 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 6.77912 9.27838 4.67641 10.0679 9.37102 11.7561 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 6.77912 9.27838 4.67641 5.69391 5.4605 7.58875 numMergedOcc 0
13 mol 72 unq 2 iso 0 dist 6.77912 9.27838 4.67641 4.03844 6.53824 6.91169 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 5.87358 7.80523 6.89298 6.35679 8.38791 10.5546 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 8.43904 6.73586 7.39626 4.39676 6.13374 8.67537 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 6.79146 7.88805 6.08911 4.66904 8.9677 11.6521 numMergedOcc 0
17 mol 130 unq 1 iso 0 dist 7.66168 7.90048 6.08911 11.1455 8.9677 11.6521 numMergedOcc 0
18 mol 130 unq 2 iso 0 dist 7.66168 9.99802 11.562 11.1455 8.9677 19.2873 numMergedOcc 0
19 mol 155 unq 0 iso 0 dist 9.38946 7.92304 9.50478 4.91785 7.29911 9.16358 numMergedOcc 0
20 mol 155 unq 1 iso 0 dist 7.39644 6.53347 6.40403 7.10286 5.36254 9.24038 numMergedOcc 0
21 mol 155 unq 2 iso 0 dist 7.36102 7.92304 5.50045 4.91785 5.36254 9.16358 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 4.93785 9.39829 7.30555 6.8757 9.09234 12.6232 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 4.93785 9.39829 7.30555 5.71898 6.76746 5.99437 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 4.93785 9.39829 7.30555 5.83796 8.92098 8.4848 numMergedOcc 0
25 mol 182 unq 0 iso 0 dist 6.73313 6.73956 5.8726 4.88992 5.73635 8.62102 numMergedOcc 0
26 mol 182 unq 1 iso 0 dist 6.73313 7.09394 10.7622 4.88992 5.73635 10.0627 numMergedOcc 0
27 mol 184 unq 0 iso 0 dist 9.52936 6.42735 7.4793 13.8904 7.59939 14.4075 numMergedOcc 0
28 mol 194 unq 0 iso 0 dist 5.48258 8.29382 4.79043 4.66791 7.10155 11.2491 numMergedOcc 0
29 mol 194 unq 1 iso 0 dist 5.48258 8.29382 4.79043 5.97754 6.11135 8.64056 numMergedOcc 0
30 mol 194 unq 2 iso 0 dist 5.48258 6.72379 4.26755 4.66791 7.10155 9.00322 numMergedOcc 0
31 mol 194 unq 3 iso 0 dist 5.48258 6.72379 4.26755 5.97754 6.11135 9.94082 numMergedOcc 0
32 mol 194 unq 4 iso 0 dist 6.15769 8.29382 6.56076 5.97754 6.54481 8.64056 numMergedOcc 0
33 mol 194 unq 5 iso 0 dist 6.15769 6.72379 10.0315 5.97754 6.54481 9.94082 numMergedOcc 0
34 mol 195 unq 0 iso 0 dist 8.36117 9.26504 4.4994 6.04871 5.87439 6.22742 numMergedOcc 0
35 mol 195 unq 1 iso 0 dist 6.77578 9.26504 5.99784 6.04871 8.18059 6.22742 numMergedOcc 0
36 mol 197 unq 0 iso 0 dist 8.99696 7.50013 11.1666 17.0276 9.27218 17.3389 numMergedOcc 0
37 mol 197 unq 1 iso 0 dist 8.99696 5.81233 13.3562 17.0276 9.27218 20.8891 numMergedOcc 0
38 mol 197 unq 2 iso 0 dist 8.99696 6.92924 4.59269 17.0276 9.27218 10.228 numMergedOcc 0
39 mol 197 unq 3 iso 0 dist 8.99696 7.14306 12.9766 17.0276 9.27218 17.9946 numMergedOcc 0
40 mol 213 unq 0 iso 0 dist 6.0965 7.37798 6.17282 10.1881 8.65196 14.4091 numMergedOcc 0
41 mol 213 unq 1 iso 0 dist 6.0965 7.73322 10.5013 10.1881 8.65196 11.7032 numMergedOcc 0
42 mol 213 unq 2 iso 0 dist 9.59129 7.37798 12.1116 10.1881 5.461 14.4091 numMergedOcc 0
43 mol 213 unq 3 iso 0 dist 9.59129 7.73322 9.93085 10.1881 5.461 11.7032 numMergedOcc 0
44 mol 218 unq 0 iso 0 dist 7.17547 6.1951 7.21048 15.6802 8.61306 14.4908 numMergedOcc 0
45 mol 224 unq 0 iso 0 dist 8.19953 9.51597 6.99977 5.13732 5.73591 10.7847 numMergedOcc 0
46 mol 234 unq 0 iso 0 dist 6.25105 9.81425 13.0631 5.53885 7.36208 14.9726 numMergedOcc 0
47 mol 234 unq 1 iso 0 dist 6.16063 6.30154 5.70413 13.1872 9.11572 14.1037 numMergedOcc 0
48 mol 234 unq 2 iso 0 dist 6.16063 7.32499 7.17691 13.1872 9.11572 7.77911 numMergedOcc 0
49 mol 235 unq 0 iso 0 dist 9.58736 9.55668 13.128 13.7306 7.02029 13.3153 numMergedOcc 0
50 mol 235 unq 1 iso 0 dist 9.43058 9.21736 17.5445 7.31605 7.02029 13.6809 numMergedOcc 0
51 mol 235 unq 2 iso 0 dist 6.98084 8.69356 11.921 8.26028 7.02029 16.4608 numMergedOcc 0
52 mol 238 unq 0 iso 0 dist 6.05141 8.94014 11.5793 5.27215 8.69525 12.1725 numMergedOcc 0
53 mol 238 unq 1 iso 0 dist 8.09066 7.02333 11.5793 6.13368 8.69525 12.1725 numMergedOcc 0
54 mol 238 unq 2 iso 0 dist 7.2766 8.67864 11.5793 10.0605 8.69525 12.1725 numMergedOcc 0
55 mol 274 unq 0 iso 0 dist 9.19234 9.45514 12.625 8.87855 6.66172 9.65868 numMergedOcc 0
56 mol 274 unq 1 iso 0 dist 9.19234 6.39866 4.60275 8.87855 6.66172 8.60027 numMergedOcc 0
