0 mol 30 unq 0 iso 0 dist 8.61226 8.51968 9.80682 11.8438 16.1469 9.74313 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 8.48514 7.8855 7.03311 4.79964 11.5847 9.12215 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 8.48514 7.8855 7.03311 4.96802 11.4704 7.27444 numMergedOcc 0
3 mol 55 unq 2 iso 0 dist 8.57785 7.8855 7.72419 4.79964 12.7826 9.12215 numMergedOcc 0
4 mol 55 unq 3 iso 0 dist 8.57785 7.8855 7.72419 4.96802 10.5734 7.27444 numMergedOcc 0
5 mol 55 unq 4 iso 0 dist 7.03751 8.29508 7.72419 15.6222 12.7826 9.12215 numMergedOcc 0
6 mol 55 unq 5 iso 0 dist 7.03751 8.29508 7.72419 11.6896 10.5734 7.27444 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 9.72287 8.00221 6.64905 5.04832 10.8193 7.03264 numMergedOcc 0
8 mol 176 unq 0 iso 0 dist 9.84843 8.12047 16.5596 7.10507 15.6619 7.84713 numMergedOcc 0
9 mol 233 unq 0 iso 0 dist 9.49046 8.31695 9.75072 4.61365 8.01777 8.63219 numMergedOcc 0
10 mol 241 unq 0 iso 0 dist 9.33399 7.62827 4.58303 5.2107 10.8893 8.86734 numMergedOcc 0
11 mol 247 unq 0 iso 0 dist 8.28575 8.81684 8.96314 5.35312 9.23297 7.03974 numMergedOcc 0
12 mol 259 unq 0 iso 0 dist 6.83706 8.13376 4.77489 14.6808 8.93518 9.06386 numMergedOcc 0
13 mol 265 unq 0 iso 0 dist 6.98451 5.14122 4.86847 11.3503 9.94957 9.74602 numMergedOcc 0
14 mol 266 unq 0 iso 0 dist 9.8678 6.55208 4.98576 5.53565 11.387 7.96955 numMergedOcc 0
15 mol 266 unq 1 iso 0 dist 8.00278 6.55208 4.0473 5.53565 7.3055 7.96955 numMergedOcc 0
16 mol 266 unq 2 iso 0 dist 9.10275 7.17562 4.98576 4.19938 11.387 7.96955 numMergedOcc 0
17 mol 266 unq 3 iso 0 dist 6.13722 7.17562 4.0473 4.19938 7.3055 7.96955 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.75212 7.78656 5.10813 5.05806 10.656 8.05825 numMergedOcc 0
19 mol 287 unq 1 iso 0 dist 7.90634 7.78656 7.51649 5.05806 7.3388 8.05825 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 7.75212 7.78656 5.10813 5.05806 10.656 8.05825 numMergedOcc 0
21 mol 288 unq 1 iso 0 dist 7.90634 7.78656 7.51649 5.05806 7.3388 8.05825 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 7.75212 7.78656 5.10813 5.05806 10.656 8.05825 numMergedOcc 0
23 mol 289 unq 1 iso 0 dist 7.90634 7.78656 7.51649 5.05806 7.3388 8.05825 numMergedOcc 0
24 mol 294 unq 0 iso 0 dist 8.74181 7.71392 14.4135 10.0381 18.6941 8.05484 numMergedOcc 0
25 mol 294 unq 1 iso 0 dist 8.96987 7.71392 15.5959 10.0381 18.3651 8.05484 numMergedOcc 0
