0 mol 32 unq 0 iso 0 dist 6.67704 5.31805 8.5315 12.1802 10.8897 7.99969 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 6.67079 9.70906 8.5315 14.463 10.8897 7.99969 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 5.81645 5.51351 7.48846 9.34889 4.55437 9.6782 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 8.48678 14.016 6.88901 15.44 7.06961 6.65501 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 6.04768 4.81103 7.14031 5.85841 11.3905 5.78706 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 6.04768 4.81103 7.14031 11.1652 14.2646 7.23884 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 6.04768 4.81103 7.14031 7.00285 4.67519 5.59328 numMergedOcc 0
7 mol 98 unq 4 iso 0 dist 6.04768 4.81103 7.14031 11.8527 10.4027 7.5242 numMergedOcc 0
8 mol 98 unq 5 iso 0 dist 9.40173 7.22196 7.14031 6.78839 11.3905 5.78706 numMergedOcc 0
9 mol 98 unq 6 iso 0 dist 9.40173 7.22196 7.14031 11.1321 14.2646 7.23884 numMergedOcc 0
10 mol 98 unq 7 iso 0 dist 9.40173 7.22196 7.14031 8.02354 4.67519 5.59328 numMergedOcc 0
11 mol 98 unq 8 iso 0 dist 9.40173 7.22196 7.14031 13.7128 10.4027 7.5242 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 7.1754 9.82137 9.5057 14.768 10.6848 7.01812 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 7.1754 9.82137 9.5057 17.5186 15.3454 8.30845 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 9.66995 6.21679 5.75014 8.22596 4.86592 7.80975 numMergedOcc 0
15 mol 100 unq 3 iso 0 dist 9.66995 6.21679 5.75014 12.2079 7.96533 7.10378 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.05937 7.21894 7.20249 7.85527 7.45148 8.99399 numMergedOcc 0
17 mol 125 unq 0 iso 0 dist 8.2793 6.27138 6.11502 13.4106 6.40824 8.76789 numMergedOcc 0
18 mol 125 unq 1 iso 0 dist 8.2793 6.27138 6.11502 13.7275 9.20086 7.73435 numMergedOcc 0
19 mol 125 unq 2 iso 0 dist 8.2793 5.61158 6.33431 13.4106 6.40824 9.08382 numMergedOcc 0
20 mol 125 unq 3 iso 0 dist 8.2793 5.61158 6.33431 13.7275 9.20086 9.3778 numMergedOcc 0
21 mol 125 unq 4 iso 0 dist 8.2793 5.61158 6.33431 12.0365 9.44075 7.47069 numMergedOcc 0
22 mol 156 unq 0 iso 0 dist 8.32841 5.309 8.21184 10.6253 5.81563 7.30357 numMergedOcc 0
23 mol 156 unq 1 iso 0 dist 8.32841 6.07262 5.9976 10.6253 5.81563 8.61587 numMergedOcc 0
24 mol 156 unq 2 iso 0 dist 6.00295 5.309 5.41575 10.6253 5.52796 7.30357 numMergedOcc 0
25 mol 156 unq 3 iso 0 dist 6.00295 6.07262 6.86566 10.6253 5.52796 8.61587 numMergedOcc 0
26 mol 156 unq 4 iso 0 dist 6.56065 11.9245 8.21184 10.9888 5.81563 7.30357 numMergedOcc 0
27 mol 156 unq 5 iso 0 dist 6.56065 6.25291 5.9976 10.9888 5.81563 8.61587 numMergedOcc 0
28 mol 156 unq 6 iso 0 dist 6.40435 6.47073 8.37434 10.2339 5.4555 9.4013 numMergedOcc 0
29 mol 162 unq 0 iso 0 dist 9.87543 8.33986 9.7361 10.1407 4.38317 6.45896 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 8.50938 12.7855 7.32087 11.0615 4.43096 6.2479 numMergedOcc 0
31 mol 181 unq 1 iso 0 dist 8.50938 12.7855 7.32087 14.3418 6.06566 6.22122 numMergedOcc 0
32 mol 181 unq 2 iso 0 dist 8.50938 12.7855 7.32087 15.0383 12.2164 7.99195 numMergedOcc 0
33 mol 232 unq 0 iso 0 dist 6.71099 7.46856 9.78181 8.89211 6.2188 8.50102 numMergedOcc 0
34 mol 232 unq 1 iso 0 dist 6.71099 7.46856 9.78181 13.0468 12.5452 9.40808 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 8.52162 6.32646 5.92374 5.67917 8.1195 8.69104 numMergedOcc 0
36 mol 271 unq 0 iso 0 dist 8.7861 13.4659 5.92274 16.1991 8.66946 9.70714 numMergedOcc 0
37 mol 273 unq 0 iso 0 dist 8.16005 5.63899 7.16346 10.3979 12.0136 8.83865 numMergedOcc 0
38 mol 273 unq 1 iso 0 dist 8.16005 5.63899 7.16346 13.3402 12.1851 9.18157 numMergedOcc 0
