0 mol 19 unq 0 iso 0 dist 6.8824 9.50382 4.55916 11.8354 11.4946 9.69454 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.79678 8.25984 4.64937 6.92677 11.6604 9.81698 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.66272 8.28883 13.2371 5.72813 14.2615 7.54318 numMergedOcc 0
3 mol 66 unq 0 iso 0 dist 9.03383 6.85819 5.49864 6.43842 10.0378 9.37957 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 8.64438 8.24549 10.9345 4.99061 9.85387 6.49205 numMergedOcc 0
5 mol 132 unq 0 iso 0 dist 7.73306 8.15549 5.6296 10.469 12.118 7.70349 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 7.4963 7.96689 7.52391 11.9436 9.89098 9.48243 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 7.74278 7.96689 7.72261 11.9436 12.3165 9.48243 numMergedOcc 0
8 mol 133 unq 2 iso 0 dist 7.74278 9.07294 13.4864 13.1243 14.6141 8.84018 numMergedOcc 0
9 mol 133 unq 3 iso 0 dist 8.54607 9.6582 7.72261 16.3678 12.3165 9.48243 numMergedOcc 0
10 mol 133 unq 4 iso 0 dist 8.54607 9.07294 16.2835 13.1243 16.6279 8.84018 numMergedOcc 0
11 mol 133 unq 5 iso 0 dist 8.08807 7.96689 13.0543 11.9436 11.5517 9.48243 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 6.26222 6.4737 7.54583 7.20811 9.35916 9.74498 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 9.30469 6.21546 10.7476 5.73338 9.09725 8.69888 numMergedOcc 0
14 mol 175 unq 1 iso 0 dist 9.30469 6.03184 4.81365 5.52686 10.6016 9.57611 numMergedOcc 0
15 mol 175 unq 2 iso 0 dist 9.30469 6.03184 4.81365 5.73338 9.09725 5.08206 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.72342 8.78709 6.36904 9.49952 10.6801 6.00053 numMergedOcc 0
17 mol 182 unq 0 iso 0 dist 8.22267 8.94671 4.39505 4.85077 9.36307 7.86625 numMergedOcc 0
18 mol 199 unq 0 iso 0 dist 7.12685 9.88917 7.36816 11.2655 13.4677 8.68505 numMergedOcc 0
19 mol 199 unq 1 iso 0 dist 7.12685 9.56785 7.14318 5.60906 11.107 9.60407 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 8.21649 7.65323 4.85877 6.68626 10.8385 9.99185 numMergedOcc 0
21 mol 206 unq 1 iso 0 dist 8.21649 7.65323 4.85877 7.20088 7.0119 8.31638 numMergedOcc 0
22 mol 210 unq 0 iso 0 dist 7.52542 6.24111 6.24537 13.3929 11.965 9.67457 numMergedOcc 0
23 mol 210 unq 1 iso 0 dist 9.58979 9.00343 6.24537 12.3088 11.965 9.67457 numMergedOcc 0
24 mol 211 unq 0 iso 0 dist 6.70983 9.8921 5.63202 11.3877 11.8874 8.63308 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 6.45234 9.17355 11.8854 8.70715 7.30244 8.48112 numMergedOcc 0
26 mol 220 unq 1 iso 0 dist 8.37469 7.86207 15.7127 10.6943 18.2396 9.8711 numMergedOcc 0
27 mol 223 unq 0 iso 0 dist 9.03969 7.57564 6.5658 4.21803 7.34316 7.82697 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 9.31156 7.62593 12.0777 11.4653 12.2287 9.33771 numMergedOcc 0
29 mol 224 unq 1 iso 0 dist 9.31156 7.62593 12.0777 12.5358 15.1247 7.39839 numMergedOcc 0
30 mol 224 unq 2 iso 0 dist 9.31156 7.58998 5.66462 6.87755 4.79841 6.23882 numMergedOcc 0
31 mol 230 unq 0 iso 0 dist 9.26431 6.23346 4.32804 9.6645 9.10813 9.54235 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 8.06955 4.55368 9.68677 6.18571 11.1172 7.93997 numMergedOcc 0
33 mol 282 unq 0 iso 0 dist 9.06244 7.93511 10.499 9.67023 12.9555 5.67266 numMergedOcc 0
34 mol 283 unq 0 iso 0 dist 8.76844 7.53773 8.99445 4.69801 12.4274 9.53225 numMergedOcc 0
