0 mol 7 unq 0 iso 0 dist 6.8464 5.0893 8.41585 11.4481 7.88043 10.2446 10.1033 7.78327 13.5229 10.6558 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.8464 5.0893 8.41585 13.9708 8.80762 12.3097 10.1033 7.78327 13.5229 13.5227 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.80897 12.8257 8.34347 16.1274 8.44506 13.2876 4.28862 7.98005 12.5438 12.4814 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.80897 12.8257 8.34347 16.1274 8.44506 13.2876 4.93643 8.31381 8.39015 15.4838 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 8.37225 8.70636 8.34347 13.0741 8.44506 13.2876 5.34503 7.98005 12.5438 12.4814 numMergedOcc 0
5 mol 26 unq 3 iso 0 dist 8.37225 8.70636 8.34347 13.0741 8.44506 13.2876 4.74002 8.31381 8.39015 15.4838 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.67557 6.53819 7.95579 7.39648 7.33422 6.82174 4.21164 8.04242 5.76272 9.09756 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 9.67557 9.9705 6.19965 7.39648 7.33422 7.91778 4.21164 8.04242 8.18948 9.09756 numMergedOcc 0
8 mol 85 unq 2 iso 0 dist 9.67557 15.3279 7.66905 7.39648 7.33422 10.121 4.21164 8.04242 14.113 9.09756 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 7.11695 14.4144 9.33898 10.9332 6.61823 6.08245 4.56304 8.85601 17.4771 13.129 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 7.11695 14.4144 9.33898 8.98815 6.49956 6.86728 4.56304 8.85601 17.4771 12.8901 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 7.11695 9.54167 9.64443 10.9332 6.61823 7.24315 4.56304 8.85601 10.2467 13.129 numMergedOcc 0
12 mol 92 unq 3 iso 0 dist 7.11695 9.54167 9.64443 8.98815 6.49956 12.163 4.56304 8.85601 10.2467 12.8901 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 9.63185 14.4816 6.69288 6.80181 4.92088 10.1489 11.1931 4.72821 4.69387 8.56547 numMergedOcc 0
14 mol 178 unq 1 iso 0 dist 9.63185 10.2893 6.43573 6.80181 4.92088 8.27339 11.1931 4.72821 3.70233 8.56547 numMergedOcc 0
15 mol 178 unq 2 iso 0 dist 9.63185 9.7684 7.17202 6.80181 4.92088 9.79302 11.1931 4.72821 7.39705 8.56547 numMergedOcc 0
16 mol 178 unq 3 iso 0 dist 9.63185 5.37264 8.81551 6.80181 4.92088 8.65097 11.1931 4.72821 9.77268 8.56547 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 7.51951 5.04299 7.26832 6.95682 5.60393 5.28092 11.1775 7.13783 13.3822 12.0319 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 8.95375 6.84704 8.02137 11.157 8.70977 6.3188 3.98316 6.23183 8.20841 11.5047 numMergedOcc 0
19 mol 206 unq 1 iso 0 dist 8.95375 7.72969 9.774 11.157 8.70977 9.9412 3.98316 6.23183 7.83734 11.5047 numMergedOcc 0
20 mol 206 unq 2 iso 0 dist 9.29007 12.4178 8.02137 7.41593 8.70977 6.3188 13.2719 6.23183 8.20841 11.5047 numMergedOcc 0
21 mol 206 unq 3 iso 0 dist 9.29007 9.9578 9.774 7.41593 8.70977 9.9412 13.2719 6.23183 7.83734 11.5047 numMergedOcc 0
22 mol 210 unq 0 iso 0 dist 6.13878 5.4508 6.18308 9.83001 5.37446 9.59996 6.59517 6.85824 4.29623 7.61953 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 7.69358 9.80642 6.97229 11.2853 8.15467 11.6066 6.09845 7.12221 6.24714 8.34189 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 7.69358 9.80642 6.97229 11.2853 8.15467 11.6066 11.3756 5.4557 4.02333 10.6472 numMergedOcc 0
25 mol 261 unq 0 iso 0 dist 7.00833 6.75336 8.45658 7.43942 8.60026 6.04016 4.80385 8.24356 11.4108 11.1232 numMergedOcc 0
