0 mol 30 unq 0 iso 0 dist 9.84967 5.5814 8.81758 7.5925 15.3046 6.88974 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 7.44869 9.96265 16.087 5.12876 11.9604 9.70459 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 7.44869 9.96265 16.087 6.85995 14.2809 7.78905 numMergedOcc 0
3 mol 44 unq 2 iso 0 dist 7.44869 9.96265 16.087 11.3037 18.0894 9.44909 numMergedOcc 0
4 mol 44 unq 3 iso 0 dist 9.17447 9.70459 8.36953 5.12876 11.3936 9.96265 numMergedOcc 0
5 mol 44 unq 4 iso 0 dist 9.17447 9.70459 8.36953 4.19085 10.39 7.78905 numMergedOcc 0
6 mol 44 unq 5 iso 0 dist 9.17447 9.70459 8.36953 10.2017 15.1878 9.44909 numMergedOcc 0
7 mol 61 unq 0 iso 0 dist 8.6338 7.52103 4.78811 8.61908 7.31677 8.46556 numMergedOcc 0
8 mol 61 unq 1 iso 0 dist 7.63159 7.52103 7.13676 8.61908 10.8872 8.46556 numMergedOcc 0
9 mol 61 unq 2 iso 0 dist 7.31677 8.46556 4.78811 8.61908 8.6338 7.52103 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 9.33989 9.71952 8.73236 3.94577 8.57953 7.28257 numMergedOcc 0
11 mol 76 unq 1 iso 0 dist 8.57953 7.28257 8.73236 3.94577 9.33989 9.71952 numMergedOcc 0
12 mol 76 unq 2 iso 0 dist 8.92491 7.47794 7.84269 8.17321 13.7382 8.09199 numMergedOcc 0
13 mol 88 unq 0 iso 0 dist 8.87089 7.74197 14.8536 14.8895 22.1561 9.72689 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 6.28957 8.43038 4.70374 11.1234 11.8028 8.14096 numMergedOcc 0
15 mol 167 unq 1 iso 0 dist 6.28957 8.43038 4.70374 3.81938 7.34285 9.87966 numMergedOcc 0
16 mol 167 unq 2 iso 0 dist 7.34285 9.87966 4.70374 3.81938 6.28957 8.43038 numMergedOcc 0
17 mol 167 unq 3 iso 0 dist 7.34285 9.87966 4.70374 13.0523 11.8028 8.14096 numMergedOcc 0
18 mol 167 unq 4 iso 0 dist 9.63473 8.14096 8.90206 11.1234 15.61 8.43038 numMergedOcc 0
19 mol 167 unq 5 iso 0 dist 9.63473 8.14096 8.90206 13.0523 18.1415 9.87966 numMergedOcc 0
20 mol 180 unq 0 iso 0 dist 8.4925 9.88732 13.9599 5.33436 12.0755 5.77949 numMergedOcc 0
21 mol 180 unq 1 iso 0 dist 8.4925 9.88732 13.9599 6.10537 11.8251 8.68403 numMergedOcc 0
22 mol 180 unq 2 iso 0 dist 8.4925 9.88732 13.9599 12.986 18.8961 5.80441 numMergedOcc 0
23 mol 185 unq 0 iso 0 dist 8.85182 9.878 6.99799 6.40496 11.4708 9.21149 numMergedOcc 0
24 mol 185 unq 1 iso 0 dist 5.7065 9.878 12.6202 6.40496 11.5709 9.21149 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 9.85777 6.752 12.019 4.20051 10.4571 5.4913 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 8.47833 6.752 5.58339 4.20051 5.47586 5.4913 numMergedOcc 0
27 mol 205 unq 2 iso 0 dist 5.05912 6.752 4.37383 4.20051 6.60429 5.4913 numMergedOcc 0
28 mol 205 unq 3 iso 0 dist 5.47586 5.4913 5.58339 4.20051 8.47833 6.752 numMergedOcc 0
29 mol 205 unq 4 iso 0 dist 6.60429 5.4913 4.37383 4.20051 5.05912 6.752 numMergedOcc 0
30 mol 212 unq 0 iso 0 dist 8.09185 5.87223 5.3615 9.449 7.27225 8.062 numMergedOcc 0
31 mol 212 unq 1 iso 0 dist 8.09185 5.87223 5.3615 5.23375 8.14212 8.70011 numMergedOcc 0
32 mol 212 unq 2 iso 0 dist 7.27225 8.062 5.3615 9.449 8.09185 5.87223 numMergedOcc 0
33 mol 212 unq 3 iso 0 dist 7.27225 8.062 5.3615 7.17541 8.14212 8.70011 numMergedOcc 0
34 mol 212 unq 4 iso 0 dist 8.14212 8.70011 5.3615 5.23375 8.09185 5.87223 numMergedOcc 0
35 mol 212 unq 5 iso 0 dist 8.14212 8.70011 5.3615 7.17541 7.27225 8.062 numMergedOcc 0
36 mol 236 unq 0 iso 0 dist 9.51001 5.66569 10.5269 5.26871 12.9622 6.11137 numMergedOcc 0
37 mol 237 unq 0 iso 0 dist 9.88041 9.42743 4.88404 15.4427 13.2828 8.56463 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 5.83514 9.66555 10.3683 5.15729 10.0299 8.67205 numMergedOcc 0
39 mol 287 unq 0 iso 0 dist 9.38187 7.26542 11.2254 3.73926 12.2418 9.53313 numMergedOcc 0
40 mol 288 unq 0 iso 0 dist 9.38187 7.26542 11.2254 3.73926 12.2418 9.53313 numMergedOcc 0
41 mol 289 unq 0 iso 0 dist 9.38187 7.26542 11.2254 3.73926 12.2418 9.53313 numMergedOcc 0
