0 mol 24 unq 0 iso 0 dist 5.42968 6.2838 7.85986 10.6551 6.7846 8.4051 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.42968 6.2838 7.85986 9.88461 13.7992 7.29868 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 5.42968 6.2838 7.85986 9.79529 13.2846 8.60554 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 5.94343 11.9306 7.03544 9.88461 8.92779 9.01567 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 5.94343 6.2838 4.30252 10.6551 8.03955 8.4051 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 5.94343 6.2838 4.30252 9.88461 8.92779 7.29868 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 5.94343 6.2838 4.30252 9.79529 12.3897 8.60554 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 8.32519 5.40878 8.21895 12.0244 14.3608 7.56205 numMergedOcc 0
8 mol 62 unq 1 iso 0 dist 8.32519 5.40878 8.21895 8.27156 5.9487 4.74544 numMergedOcc 0
9 mol 101 unq 0 iso 0 dist 9.05284 7.30581 9.44645 9.84632 6.2696 6.98314 numMergedOcc 0
10 mol 101 unq 1 iso 0 dist 9.05284 7.30581 9.44645 13.8279 10.1773 7.61685 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 6.61697 4.68082 7.40338 12.6882 15.3211 8.8822 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 6.61697 5.60987 6.23759 12.6882 15.3211 9.66219 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 5.96324 10.7523 9.62774 11.4846 6.80544 9.87644 numMergedOcc 0
14 mol 182 unq 0 iso 0 dist 7.12941 9.60519 9.98182 10.6586 6.45169 7.09394 numMergedOcc 0
15 mol 188 unq 0 iso 0 dist 9.81333 5.58576 8.34477 10.4357 8.02684 7.14503 numMergedOcc 0
16 mol 188 unq 1 iso 0 dist 9.81333 13.977 8.4784 10.4357 8.02684 8.10214 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 4.72209 5.68053 7.75318 6.11505 7.35363 4.8668 numMergedOcc 0
18 mol 235 unq 0 iso 0 dist 5.49475 5.86896 7.26232 5.60236 4.67058 6.36341 numMergedOcc 0
19 mol 235 unq 1 iso 0 dist 5.49475 5.86896 7.26232 11.2471 10.28 6.21292 numMergedOcc 0
20 mol 235 unq 2 iso 0 dist 5.49475 5.86896 7.26232 13.8175 13.783 9.21736 numMergedOcc 0
21 mol 235 unq 3 iso 0 dist 7.8548 4.88651 7.26232 9.03917 4.67058 6.36341 numMergedOcc 0
22 mol 235 unq 4 iso 0 dist 7.8548 4.88651 7.26232 6.56775 10.28 6.21292 numMergedOcc 0
23 mol 235 unq 5 iso 0 dist 7.8548 4.88651 7.26232 10.8773 13.783 9.21736 numMergedOcc 0
24 mol 241 unq 0 iso 0 dist 7.65636 5.69979 8.73192 6.90245 4.07839 7.89524 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 5.80835 4.84212 5.91617 10.8963 7.22011 7.07965 numMergedOcc 0
