0 mol 7 unq 0 iso 0 dist 9.15183 9.85147 9.68006 6.8464 5.13353 5.99972 5.0893 11.659 12.0193 8.41585 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 5.68648 9.35502 7.03958 16.336 12.4076 8.53529 11.9112 10.9634 4.36226 8.96553 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 5.68648 9.35502 7.03958 15.1676 10.9495 7.18019 11.9112 10.9634 4.36226 9.62879 numMergedOcc 0
3 mol 15 unq 0 iso 0 dist 6.82187 7.49229 5.89412 12.0227 11.0528 7.07399 9.85033 9.88835 4.29582 8.38064 numMergedOcc 0
4 mol 15 unq 1 iso 0 dist 6.60595 7.11548 6.42748 12.0433 11.7498 7.48342 9.50843 10.6338 4.39605 8.38064 numMergedOcc 0
5 mol 15 unq 2 iso 0 dist 6.60595 7.11548 6.42748 12.0433 11.7498 7.48342 17.9457 18.3783 12.1303 9.97507 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 6.41045 10.4834 8.40416 13.3505 7.67038 7.75618 13.0519 10.4091 4.96411 7.20519 numMergedOcc 0
7 mol 19 unq 1 iso 0 dist 6.41045 10.4834 8.40416 13.3505 7.67038 7.75618 13.3276 8.4674 9.74255 4.54938 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 6.41045 10.4834 8.40416 13.3505 7.67038 7.75618 7.64353 4.51865 7.08342 6.864 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 8.0319 15.2997 7.29868 23.5364 15.5315 8.4051 18.7816 11.0194 5.11617 5.54419 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 8.0319 15.2997 7.29868 23.5364 15.5315 8.4051 28.2146 20.3888 13.2229 7.36323 numMergedOcc 0
11 mol 24 unq 2 iso 0 dist 8.0319 15.2997 7.29868 15.5112 10.0952 8.60554 11.4109 6.86014 8.52463 8.86116 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 8.0319 15.2997 7.29868 15.5112 10.0952 8.60554 16.069 12.5077 12.3994 8.38394 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 9.67557 13.5302 7.54568 19.3849 10.1164 9.39864 15.3279 7.66905 4.65335 5.73196 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 7.689 12.5859 7.01812 11.1764 5.88134 8.30845 18.5071 12.0662 12.2861 7.47343 numMergedOcc 0
15 mol 100 unq 1 iso 0 dist 7.689 12.5859 7.01812 11.1764 5.88134 8.30845 14.9329 9.60661 5.80144 6.65086 numMergedOcc 0
16 mol 100 unq 2 iso 0 dist 7.689 12.5859 7.01812 11.1764 5.88134 8.30845 10.3954 9.35224 10.0456 6.56369 numMergedOcc 0
17 mol 100 unq 3 iso 0 dist 7.689 12.5859 7.01812 11.1764 5.88134 8.30845 13.2084 10.5853 6.70236 9.30209 numMergedOcc 0
18 mol 100 unq 4 iso 0 dist 9.22737 10.6748 8.30845 12.7823 5.88134 7.01812 6.60925 6.65086 5.80144 9.60661 numMergedOcc 0
19 mol 100 unq 5 iso 0 dist 9.22737 10.6748 8.30845 12.7823 5.88134 7.01812 12.0206 10.5134 8.4128 7.17106 numMergedOcc 0
20 mol 100 unq 6 iso 0 dist 9.22737 10.6748 8.30845 12.7823 5.88134 7.01812 4.95357 6.56369 10.0456 9.35224 numMergedOcc 0
21 mol 101 unq 0 iso 0 dist 9.65097 4.93063 7.61685 8.65215 6.69637 6.98314 9.17843 10.3881 5.53055 6.57035 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 8.97762 11.4871 6.16242 15.4305 7.81217 5.87634 9.74121 6.29155 4.54648 6.80239 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 8.86784 12.3839 7.80532 13.8807 5.79898 5.83771 5.15251 6.54501 7.41674 9.89303 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 7.7544 7.18433 9.39829 11.1074 8.85576 6.41453 10.8374 7.81386 7.20191 7.63312 numMergedOcc 0
25 mol 206 unq 0 iso 0 dist 8.11407 11.6019 6.16414 8.95375 5.63422 7.75885 6.84704 11.1804 12.7604 8.02137 numMergedOcc 0
26 mol 206 unq 1 iso 0 dist 8.11407 11.6019 6.16414 8.95375 5.63422 7.75885 7.72969 7.7366 6.45859 9.774 numMergedOcc 0
27 mol 206 unq 2 iso 0 dist 8.95375 11.6019 7.75885 8.11407 5.63422 6.16414 7.72969 9.774 6.45859 7.7366 numMergedOcc 0
28 mol 206 unq 3 iso 0 dist 9.29007 6.64436 7.75885 11.3921 5.63422 6.16414 9.9578 9.774 6.45859 7.7366 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 8.6771 6.12869 7.57812 13.7175 10.0191 9.24557 18.8597 13.5431 14.7883 5.72887 numMergedOcc 0
30 mol 258 unq 0 iso 0 dist 7.57187 12.7787 9.63959 16.512 12.321 7.21311 11.6511 10.5548 5.63675 6.60405 numMergedOcc 0
31 mol 278 unq 0 iso 0 dist 6.84604 10.7698 6.62841 11.8771 8.29447 8.00673 12.8486 10.6095 4.97614 8.44326 numMergedOcc 0
