0 mol 79 unq 0 iso 0 dist 6.09906 4.91617 5.25027 9.02674 7.23157 6.2576 numMergedOcc 0
1 mol 79 unq 1 iso 0 dist 6.09906 4.91617 5.25027 12.7962 12.5946 8.96069 numMergedOcc 0
2 mol 79 unq 2 iso 0 dist 6.09906 4.91617 5.25027 12.4348 9.69296 7.56495 numMergedOcc 0
3 mol 79 unq 3 iso 0 dist 6.09906 8.05938 4.37025 12.3642 6.54837 5.79139 numMergedOcc 0
4 mol 79 unq 4 iso 0 dist 6.09906 8.05938 4.37025 12.4348 9.69296 7.63923 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 5.90776 7.81379 4.17838 11.0483 7.05542 8.43964 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 8.05602 12.6133 7.92856 15.6289 14.1056 9.90672 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 8.05602 12.6133 7.92856 16.3124 14.3413 7.55367 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 9.08014 6.55681 7.02367 13.1995 7.27193 9.62952 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 7.85527 10.6622 7.60162 8.05937 7.45148 6.21165 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 5.22024 5.55879 6.09063 7.43112 5.18913 5.13405 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 8.57582 3.40022 6.09063 6.09693 5.18913 5.13405 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 6.87299 5.14383 6.73617 12.805 8.93262 9.59327 numMergedOcc 0
13 mol 147 unq 1 iso 0 dist 6.87299 8.68767 9.03544 12.805 8.93262 8.51399 numMergedOcc 0
14 mol 154 unq 0 iso 0 dist 8.34737 6.64725 8.89394 13.7738 10.0639 8.90588 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 6.58792 8.21964 9.70481 9.99409 11.85 9.20617 numMergedOcc 0
16 mol 198 unq 0 iso 0 dist 7.75394 11.4495 9.76973 19.7688 15.6566 8.78623 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 6.15806 8.62303 7.13783 14.495 9.55992 7.75318 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 9.95045 15.2257 8.25985 11.8822 4.9377 9.78273 numMergedOcc 0
19 mol 256 unq 0 iso 0 dist 5.98967 7.06908 4.80903 9.94144 5.28793 4.36333 numMergedOcc 0
20 mol 256 unq 1 iso 0 dist 5.98967 7.06908 4.80903 10.4523 4.99672 6.96483 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 7.07459 3.60894 5.81301 7.88238 9.87336 6.23115 numMergedOcc 0
