0 mol 68 unq 0 iso 0 dist 9.74289 10.1479 8.04256 4.55484 7.96497 9.07668 numMergedOcc 0
1 mol 68 unq 1 iso 0 dist 9.74289 3.95228 7.51075 4.55484 7.96497 3.89794 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 7.28058 7.70943 8.06168 10.6264 7.13087 4.65267 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 7.28058 3.98918 8.67532 10.6264 7.13087 13.4661 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 7.24378 11.8144 8.58841 11.2646 8.97793 10.5948 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 7.24378 11.8144 8.58841 9.43349 8.19682 13.8628 numMergedOcc 0
6 mol 76 unq 2 iso 0 dist 7.36475 5.94401 6.4551 8.76407 9.49449 13.2281 numMergedOcc 0
7 mol 90 unq 0 iso 0 dist 8.364 8.01469 9.44078 6.94038 8.39016 9.76996 numMergedOcc 0
8 mol 90 unq 1 iso 0 dist 8.364 4.93451 5.9179 6.94038 8.39016 4.97513 numMergedOcc 0
9 mol 90 unq 2 iso 0 dist 7.37255 6.21918 9.44078 7.88117 8.39016 9.76996 numMergedOcc 0
10 mol 90 unq 3 iso 0 dist 7.37255 5.41685 5.9179 7.88117 8.39016 4.97513 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 6.44766 11.2112 7.81337 8.49634 6.91348 6.25099 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 6.44766 11.2112 7.81337 5.0492 9.51418 14.8295 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 9.56095 10.1632 6.7973 12.9022 7.16254 5.10076 numMergedOcc 0
14 mol 155 unq 1 iso 0 dist 9.56095 10.1632 6.7973 10.5066 9.86313 9.64056 numMergedOcc 0
15 mol 176 unq 0 iso 0 dist 9.84636 15.867 7.30954 14.8775 8.61331 4.20839 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 9.33638 16.7561 9.51764 11.401 6.97182 6.09245 numMergedOcc 0
17 mol 214 unq 1 iso 0 dist 9.33638 16.7561 9.51764 6.39677 6.1175 10.8345 numMergedOcc 0
18 mol 214 unq 2 iso 0 dist 9.33638 5.24733 5.36829 11.401 6.97182 8.69149 numMergedOcc 0
19 mol 214 unq 3 iso 0 dist 9.33638 5.24733 5.36829 6.39677 6.1175 6.00706 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 9.95084 15.8157 7.73315 4.99098 8.53199 12.9902 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 5.07968 6.85536 7.16386 6.32132 7.61951 3.90017 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 8.81925 9.27187 9.55777 4.95108 6.82208 5.78005 numMergedOcc 0
23 mol 234 unq 0 iso 0 dist 7.17987 14.3029 7.86368 5.04225 9.5707 16.9465 numMergedOcc 0
24 mol 234 unq 1 iso 0 dist 7.17987 14.3029 7.86368 6.99882 7.85175 15.442 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 6.0087 13.2917 8.90987 9.3775 7.17676 14.3961 numMergedOcc 0
26 mol 236 unq 1 iso 0 dist 6.0087 13.2917 8.90987 4.59056 6.68463 12.7435 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 9.94587 5.6925 6.24928 12.3467 6.91569 6.66018 numMergedOcc 0
28 mol 249 unq 0 iso 0 dist 9.14351 8.05633 6.37672 9.45521 8.83735 10.4294 numMergedOcc 0
29 mol 249 unq 1 iso 0 dist 9.14351 6.09778 8.94023 9.45521 8.83735 9.10124 numMergedOcc 0
30 mol 253 unq 0 iso 0 dist 9.75753 12.1288 5.89502 12.2787 7.19465 11.889 numMergedOcc 0
31 mol 253 unq 1 iso 0 dist 9.75753 15.7857 7.15815 12.2787 7.19465 8.75798 numMergedOcc 0
32 mol 257 unq 0 iso 0 dist 6.44188 9.11516 9.83721 5.02458 7.27505 6.72853 numMergedOcc 0
33 mol 257 unq 1 iso 0 dist 5.13633 12.611 9.83721 8.75221 7.27505 6.72853 numMergedOcc 0
34 mol 257 unq 2 iso 0 dist 6.50405 6.07988 7.82899 5.02339 7.14834 7.37187 numMergedOcc 0
35 mol 277 unq 0 iso 0 dist 6.86014 11.7966 9.29635 6.60083 9.41725 13.8592 numMergedOcc 0
36 mol 277 unq 1 iso 0 dist 5.97073 7.00586 9.29635 10.5543 9.41725 13.8592 numMergedOcc 0
37 mol 277 unq 2 iso 0 dist 6.49176 7.86614 9.29635 14.6973 9.41725 13.8592 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 7.29148 4.34283 9.6898 10.3993 9.454 13.2729 numMergedOcc 0
39 mol 292 unq 1 iso 0 dist 7.29148 11.1098 5.75596 10.3993 9.454 6.58789 numMergedOcc 0
