0 mol 5 unq 0 iso 0 dist 6.40459 7.0627 6.94674 4.69173 6.70655 4.9568 numMergedOcc 0
1 mol 63 unq 0 iso 0 dist 9.0481 6.0662 4.65384 5.25228 12.1521 7.77559 numMergedOcc 0
2 mol 83 unq 0 iso 0 dist 7.6104 6.72584 4.48523 10.5201 6.77845 9.94528 numMergedOcc 0
3 mol 83 unq 1 iso 0 dist 7.6104 6.72584 4.48523 7.36012 5.48555 8.94777 numMergedOcc 0
4 mol 83 unq 2 iso 0 dist 7.6104 6.72584 4.48523 14.1233 10.4604 9.47551 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 6.29879 7.84085 4.63862 9.45934 6.9268 4.82356 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 6.29879 7.84085 4.63862 5.10912 8.19166 8.83476 numMergedOcc 0
7 mol 154 unq 0 iso 0 dist 8.10747 8.12953 4.75232 13.5449 12.9329 8.26128 numMergedOcc 0
8 mol 167 unq 0 iso 0 dist 8.68179 9.5648 15.5141 5.79787 11.7751 8.95296 numMergedOcc 0
9 mol 167 unq 1 iso 0 dist 8.68179 9.5648 15.5141 9.64941 17.1897 6.10021 numMergedOcc 0
10 mol 167 unq 2 iso 0 dist 5.32056 9.5648 11.1876 5.79787 8.39087 8.95296 numMergedOcc 0
11 mol 167 unq 3 iso 0 dist 5.32056 9.5648 11.1876 9.64941 13.0903 6.10021 numMergedOcc 0
12 mol 167 unq 4 iso 0 dist 9.52659 9.5648 9.45943 5.79787 13.6444 8.95296 numMergedOcc 0
13 mol 167 unq 5 iso 0 dist 9.52659 9.5648 9.45943 9.64941 13.9304 6.10021 numMergedOcc 0
14 mol 168 unq 0 iso 0 dist 9.01437 6.24232 3.60864 10.8619 5.60956 6.48066 numMergedOcc 0
15 mol 168 unq 1 iso 0 dist 9.01437 6.13116 7.08284 4.48341 12.9343 8.47543 numMergedOcc 0
16 mol 168 unq 2 iso 0 dist 9.6856 8.1953 3.60864 12.8199 5.60956 6.48066 numMergedOcc 0
17 mol 168 unq 3 iso 0 dist 9.6856 8.16253 7.08284 15.3661 12.9343 8.47543 numMergedOcc 0
18 mol 184 unq 0 iso 0 dist 7.73442 9.35481 10.3105 7.11382 9.34265 7.65214 numMergedOcc 0
19 mol 210 unq 0 iso 0 dist 6.61789 9.72463 4.68656 17.8528 14.1595 9.49242 numMergedOcc 0
20 mol 237 unq 0 iso 0 dist 6.73849 5.27463 3.64783 5.61195 10.1948 7.69237 numMergedOcc 0
21 mol 237 unq 1 iso 0 dist 9.43875 5.27463 10.1524 5.61195 14.123 7.69237 numMergedOcc 0
22 mol 247 unq 0 iso 0 dist 8.0367 5.27761 7.1185 5.45251 10.9153 4.78189 numMergedOcc 0
23 mol 254 unq 0 iso 0 dist 9.61808 8.4346 8.42716 8.84597 15.8623 9.09568 numMergedOcc 0
24 mol 254 unq 1 iso 0 dist 9.61808 8.4346 8.42716 13.2094 16.1727 7.84221 numMergedOcc 0
25 mol 254 unq 2 iso 0 dist 9.61808 7.97728 7.70437 8.84597 15.8623 9.99168 numMergedOcc 0
26 mol 254 unq 3 iso 0 dist 9.61808 7.97728 7.70437 13.2094 16.1727 9.67383 numMergedOcc 0
27 mol 257 unq 0 iso 0 dist 8.36731 6.19418 3.67174 10.3089 13.4138 9.82105 numMergedOcc 0
28 mol 272 unq 0 iso 0 dist 8.19595 8.3872 5.32967 9.05279 11.3957 9.99134 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 7.7368 6.23874 9.21351 11.5428 14.961 8.71974 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 7.7368 6.23874 9.21351 13.0637 17.3697 8.82649 numMergedOcc 0
31 mol 287 unq 2 iso 0 dist 7.7368 6.23874 9.21351 7.33382 12.0454 7.35776 numMergedOcc 0
32 mol 287 unq 3 iso 0 dist 7.7368 6.68956 4.96187 7.33382 12.0454 9.59195 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 7.7368 6.23874 9.21351 11.5428 14.961 8.71974 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 7.7368 6.23874 9.21351 13.0637 17.3697 8.82649 numMergedOcc 0
35 mol 288 unq 2 iso 0 dist 7.7368 6.23874 9.21351 7.33382 12.0454 7.35776 numMergedOcc 0
36 mol 288 unq 3 iso 0 dist 7.7368 6.68956 4.96187 7.33382 12.0454 9.59195 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 7.7368 6.23874 9.21351 11.5428 14.961 8.71974 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 7.7368 6.23874 9.21351 13.0637 17.3697 8.82649 numMergedOcc 0
39 mol 289 unq 2 iso 0 dist 7.7368 6.23874 9.21351 7.33382 12.0454 7.35776 numMergedOcc 0
40 mol 289 unq 3 iso 0 dist 7.7368 6.68956 4.96187 7.33382 12.0454 9.59195 numMergedOcc 0
