0 mol 37 unq 0 iso 0 dist 5.98359 9.21102 4.23663 9.98549 9.08524 10.9726 numMergedOcc 0
1 mol 37 unq 1 iso 0 dist 5.98359 6.84257 8.49523 9.98549 9.08524 14.1513 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.10175 6.29755 12.1689 8.41365 10.352 10.1493 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 6.10175 7.4038 11.8364 8.41365 10.352 14.043 numMergedOcc 0
4 mol 71 unq 0 iso 0 dist 4.87423 7.12853 5.01302 8.05492 8.13095 5.30462 numMergedOcc 0
5 mol 71 unq 1 iso 0 dist 4.76283 6.14513 5.01302 9.27619 8.13095 5.30462 numMergedOcc 0
6 mol 71 unq 2 iso 0 dist 4.76283 7.4392 4.64256 9.27619 8.13095 9.59397 numMergedOcc 0
7 mol 71 unq 3 iso 0 dist 7.75237 7.12853 9.08204 8.05492 5.63957 5.30462 numMergedOcc 0
8 mol 99 unq 0 iso 0 dist 8.23566 9.39801 12.5118 8.86001 5.17028 9.40959 numMergedOcc 0
9 mol 99 unq 1 iso 0 dist 8.23566 4.82346 4.74328 8.86001 5.17028 6.83905 numMergedOcc 0
10 mol 99 unq 2 iso 0 dist 8.23566 8.89165 6.55763 8.86001 5.17028 8.5835 numMergedOcc 0
11 mol 105 unq 0 iso 0 dist 9.87685 9.96269 8.60755 6.13301 7.60038 4.27067 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 8.592 8.75093 5.53478 8.90311 14.8365 16.5867 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 9.40544 8.8894 10.2375 8.67028 6.64531 4.47584 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 7.8034 9.14809 9.45822 6.66749 5.53162 5.81453 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 7.8034 6.45169 10.1774 6.66749 5.53162 6.66108 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 6.4922 8.15734 6.69705 8.28362 6.72936 10.2302 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 6.4922 8.15734 6.69705 5.60137 5.46508 5.54305 numMergedOcc 0
18 mol 140 unq 0 iso 0 dist 9.74209 6.55217 4.8476 6.29125 14.3113 10.9472 numMergedOcc 0
19 mol 140 unq 1 iso 0 dist 9.74209 7.21686 8.53976 6.29125 14.3113 8.08387 numMergedOcc 0
20 mol 184 unq 0 iso 0 dist 5.13722 8.49577 8.78766 7.95111 11.1645 5.81835 numMergedOcc 0
21 mol 193 unq 0 iso 0 dist 9.16852 7.71716 3.53549 9.42057 14.5828 11.453 numMergedOcc 0
22 mol 193 unq 1 iso 0 dist 5.19654 8.71993 3.53549 8.52642 10.9221 13.241 numMergedOcc 0
23 mol 203 unq 0 iso 0 dist 6.8395 7.72498 5.52709 9.47629 5.26458 5.30867 numMergedOcc 0
24 mol 210 unq 0 iso 0 dist 7.68078 8.94889 12.3142 5.57537 6.25938 6.06056 numMergedOcc 0
25 mol 210 unq 1 iso 0 dist 9.26518 8.94889 13.7365 5.57537 12.7024 6.06056 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 4.3362 6.89587 5.7733 8.57161 7.84277 9.44963 numMergedOcc 0
27 mol 220 unq 1 iso 0 dist 5.51565 6.89587 4.4922 8.57161 5.83946 9.44963 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 9.92947 5.07376 12.9085 6.04427 12.7034 4.60179 numMergedOcc 0
29 mol 224 unq 1 iso 0 dist 7.46044 5.07376 4.49347 6.04427 7.89905 4.60179 numMergedOcc 0
30 mol 224 unq 2 iso 0 dist 9.06201 8.96263 9.9943 8.39753 5.46434 4.76056 numMergedOcc 0
31 mol 224 unq 3 iso 0 dist 9.06201 7.35677 7.83342 8.39753 5.46434 4.1117 numMergedOcc 0
32 mol 239 unq 0 iso 0 dist 8.78008 7.80073 8.20191 9.10967 5.28695 4.81796 numMergedOcc 0
33 mol 239 unq 1 iso 0 dist 8.01565 7.10828 5.94643 6.31114 7.4709 4.74711 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 8.34471 9.53832 8.44005 9.11168 10.1271 7.16525 numMergedOcc 0
35 mol 270 unq 0 iso 0 dist 7.65449 6.32507 5.64329 7.06085 10.5844 6.86892 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 8.83777 6.40125 6.08499 8.62043 10.0256 12.0817 numMergedOcc 0
37 mol 277 unq 1 iso 0 dist 9.42812 6.40125 10.3278 8.62043 8.46112 12.0817 numMergedOcc 0
