0 mol 15 unq 0 iso 0 dist 5.89412 6.91314 6.23015 9.29358 6.19131 9.51568 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 7.07399 5.49251 6.23015 10.2062 6.19131 9.51568 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.87757 13.6145 6.53269 9.43699 6.06874 8.53931 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.50222 5.18617 6.53269 12.8446 6.06874 8.53931 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 7.55264 5.68041 6.53269 11.7303 6.06874 8.53931 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 6.46104 5.56139 6.07276 8.82012 4.98603 5.84066 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 7.36856 7.73394 6.07276 10.9838 4.98603 5.84066 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 9.27838 5.69391 7.58875 6.77912 4.67641 5.4605 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 9.27838 5.69391 7.58875 10.4226 4.5168 6.1906 numMergedOcc 0
9 mol 72 unq 2 iso 0 dist 9.27838 5.69391 7.58875 10.4676 7.04549 6.7272 numMergedOcc 0
10 mol 72 unq 3 iso 0 dist 9.27838 5.57624 9.52749 10.4226 4.5168 8.70809 numMergedOcc 0
11 mol 72 unq 4 iso 0 dist 9.27838 4.03844 6.91169 6.77912 4.67641 6.53824 numMergedOcc 0
12 mol 72 unq 5 iso 0 dist 9.27838 4.03844 6.91169 10.4226 4.5168 7.67686 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 6.65501 10.4782 8.46823 10.417 5.71029 4.44979 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 6.65501 3.9764 4.62494 10.417 5.71029 6.61111 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 6.73586 4.39676 8.67537 8.43904 7.39626 6.13374 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 6.73586 4.39676 8.67537 13.4411 15.4934 9.08536 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 6.16242 13.0405 8.83732 11.3058 11.5342 8.55349 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 5.87634 13.7612 8.83732 16.0613 11.5342 8.55349 numMergedOcc 0
19 mol 135 unq 0 iso 0 dist 5.62052 8.50814 7.28318 14.1481 11.52 7.6337 numMergedOcc 0
20 mol 135 unq 1 iso 0 dist 7.90563 8.50814 7.17599 14.1481 7.69819 7.6337 numMergedOcc 0
21 mol 135 unq 2 iso 0 dist 7.85645 3.95636 7.28318 11.343 11.52 7.6337 numMergedOcc 0
22 mol 135 unq 3 iso 0 dist 8.97655 3.95636 7.17599 11.343 7.69819 7.6337 numMergedOcc 0
23 mol 155 unq 0 iso 0 dist 7.92304 4.91785 9.16358 9.38946 9.50478 7.29911 numMergedOcc 0
24 mol 155 unq 1 iso 0 dist 7.92304 4.91785 9.16358 7.36102 5.50045 5.36254 numMergedOcc 0
25 mol 155 unq 2 iso 0 dist 8.69157 12.6999 9.24038 18.1388 12.0574 7.29911 numMergedOcc 0
26 mol 155 unq 3 iso 0 dist 8.69157 12.6999 9.24038 13.1369 6.40403 5.36254 numMergedOcc 0
27 mol 155 unq 4 iso 0 dist 6.53347 7.10286 9.24038 11.5473 12.0574 7.29911 numMergedOcc 0
28 mol 155 unq 5 iso 0 dist 6.53347 7.10286 9.24038 7.39644 6.40403 5.36254 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 5.9176 10.6474 8.12266 10.1232 11.5017 9.09234 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 5.9176 5.12833 9.43306 10.1232 11.5017 8.92098 numMergedOcc 0
31 mol 181 unq 2 iso 0 dist 9.39829 5.71898 5.99437 4.93785 7.30555 6.76746 numMergedOcc 0
32 mol 181 unq 3 iso 0 dist 9.39829 5.83796 8.4848 4.93785 7.30555 8.92098 numMergedOcc 0
33 mol 181 unq 4 iso 0 dist 6.41453 5.93724 5.99437 10.1232 7.30555 6.76746 numMergedOcc 0
34 mol 181 unq 5 iso 0 dist 6.41453 5.12833 8.4848 10.1232 7.30555 8.92098 numMergedOcc 0
35 mol 182 unq 0 iso 0 dist 6.73956 4.88992 8.62102 6.73313 5.8726 5.73635 numMergedOcc 0
36 mol 194 unq 0 iso 0 dist 8.29382 5.97754 8.64056 5.48258 4.79043 6.11135 numMergedOcc 0
37 mol 194 unq 1 iso 0 dist 8.29382 5.97754 8.64056 6.15769 6.56076 6.54481 numMergedOcc 0
38 mol 194 unq 2 iso 0 dist 8.29382 5.97754 8.64056 9.53608 4.48495 8.03403 numMergedOcc 0
39 mol 194 unq 3 iso 0 dist 6.72379 4.66791 9.00322 5.48258 4.26755 7.10155 numMergedOcc 0
40 mol 195 unq 0 iso 0 dist 7.36683 5.41635 6.22742 9.36654 4.4994 5.87439 numMergedOcc 0
41 mol 195 unq 1 iso 0 dist 7.36683 5.41635 6.22742 11.955 5.99784 8.18059 numMergedOcc 0
42 mol 195 unq 2 iso 0 dist 9.26504 6.04871 6.22742 8.36117 4.4994 5.87439 numMergedOcc 0
43 mol 195 unq 3 iso 0 dist 9.26504 6.04871 6.22742 6.77578 5.99784 8.18059 numMergedOcc 0
44 mol 234 unq 0 iso 0 dist 7.32499 13.1872 7.77911 6.16063 7.17691 9.11572 numMergedOcc 0
45 mol 234 unq 1 iso 0 dist 7.32499 13.1872 7.77911 13.2498 6.51967 9.49229 numMergedOcc 0
46 mol 234 unq 2 iso 0 dist 7.32499 13.1872 7.77911 11.4691 4.51304 7.20293 numMergedOcc 0
47 mol 274 unq 0 iso 0 dist 7.46394 14.7507 9.65868 14.4703 12.625 6.66172 numMergedOcc 0
48 mol 274 unq 1 iso 0 dist 9.45514 8.87855 9.65868 9.19234 12.625 6.66172 numMergedOcc 0
49 mol 274 unq 2 iso 0 dist 8.91672 12.5615 9.65868 17.725 12.625 6.66172 numMergedOcc 0
50 mol 274 unq 3 iso 0 dist 7.1729 13.0867 9.65868 14.3124 12.625 6.66172 numMergedOcc 0
51 mol 274 unq 4 iso 0 dist 8.52587 16.9539 8.60027 12.5979 4.60275 6.66172 numMergedOcc 0
52 mol 274 unq 5 iso 0 dist 6.39866 8.87855 8.60027 9.19234 4.60275 6.66172 numMergedOcc 0
