0 mol 18 unq 0 iso 0 dist 6.19657 10.1168 9.1397 5.61403 8.09187 8.70343 numMergedOcc 0
1 mol 36 unq 0 iso 0 dist 9.96441 6.66097 8.41542 10.8132 7.23219 7.87445 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 9.27633 12.4767 9.07128 6.64721 6.1847 5.90098 numMergedOcc 0
3 mol 102 unq 0 iso 0 dist 9.49592 10.2218 5.54256 7.99081 7.68537 5.498 numMergedOcc 0
4 mol 102 unq 1 iso 0 dist 5.88034 8.17186 5.54256 6.83631 7.68537 5.498 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 7.43587 5.42993 9.3273 8.51234 9.68074 4.29204 numMergedOcc 0
6 mol 142 unq 0 iso 0 dist 5.79144 13.1936 8.04118 5.81429 5.69323 9.49653 numMergedOcc 0
7 mol 142 unq 1 iso 0 dist 5.79144 12.288 8.39035 5.81429 5.69323 7.53854 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 8.62135 5.90364 6.73617 11.92 9.23589 6.02355 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 8.78397 13.1754 6.79114 9.92336 9.70169 7.86749 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 6.19329 5.07895 9.70481 4.97806 7.61421 5.88819 numMergedOcc 0
11 mol 197 unq 0 iso 0 dist 7.06868 8.69245 9.23086 10.1284 9.77656 5.2908 numMergedOcc 0
12 mol 197 unq 1 iso 0 dist 7.06868 4.6678 8.37086 10.1284 9.77656 10.5397 numMergedOcc 0
13 mol 251 unq 0 iso 0 dist 6.63516 12.8309 8.45764 9.18859 9.55854 10.7711 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 8.75224 13.3027 8.25897 11.3446 5.23503 4.99891 numMergedOcc 0
15 mol 259 unq 1 iso 0 dist 8.75224 13.3027 8.25897 11.1732 9.61028 5.32839 numMergedOcc 0
16 mol 265 unq 0 iso 0 dist 6.80043 7.8929 5.7944 10.3184 8.03604 6.43013 numMergedOcc 0
17 mol 265 unq 1 iso 0 dist 6.80043 7.8929 5.7944 4.98228 5.94614 5.51535 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 9.48076 12.7618 5.72327 8.46112 8.13595 8.91002 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 9.48076 13.8339 5.81301 8.46112 8.13595 8.34559 numMergedOcc 0
20 mol 277 unq 2 iso 0 dist 9.48076 16.0093 9.81201 8.46112 8.13595 8.76212 numMergedOcc 0
21 mol 277 unq 3 iso 0 dist 8.04081 5.17381 5.72327 13.0233 8.13595 8.91002 numMergedOcc 0
22 mol 277 unq 4 iso 0 dist 8.04081 5.89928 5.81301 13.0233 8.13595 8.34559 numMergedOcc 0
23 mol 277 unq 5 iso 0 dist 8.04081 7.75491 9.81201 13.0233 8.13595 8.76212 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 9.78064 5.64519 9.18744 5.89971 7.77225 4.62998 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 9.78064 5.64519 9.18744 5.89971 7.77225 4.62998 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 9.78064 5.64519 9.18744 5.89971 7.77225 4.62998 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 7.89784 12.9146 9.96374 7.32101 3.93401 12.1551 numMergedOcc 0
28 mol 292 unq 1 iso 0 dist 7.83983 13.1936 9.96374 5.737 3.93401 12.1551 numMergedOcc 0
