0 mol 1 unq 0 iso 0 dist 8.27735 9.11012 9.72202 5.27206 9.00903 5.42625 9.80295 6.09918 5.0634 7.94662 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.8576 5.83293 6.8464 10.4545 8.41585 5.0893 13.0722 7.88043 11.4481 10.2446 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.8576 5.83293 6.8464 10.4545 8.41585 5.0893 16.4052 8.80762 13.9708 12.3097 numMergedOcc 0
3 mol 14 unq 0 iso 0 dist 8.51112 10.7867 7.73217 12.3645 9.04767 4.75873 5.58434 9.58855 7.68094 10.6873 numMergedOcc 0
4 mol 14 unq 1 iso 0 dist 8.51112 6.38279 5.99703 12.3645 9.04767 6.03847 5.58434 9.58855 6.45626 10.6873 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 7.34549 8.23892 9.80897 4.76147 8.34347 12.8257 14.0065 8.44506 16.1274 13.2876 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 7.34549 5.19532 8.37225 4.76147 8.34347 8.70636 14.0065 8.44506 13.0741 13.2876 numMergedOcc 0
7 mol 26 unq 2 iso 0 dist 8.09068 14.6126 9.80897 6.30129 8.34347 12.8257 8.26538 8.44506 16.1274 13.2876 numMergedOcc 0
8 mol 26 unq 3 iso 0 dist 8.09068 9.51004 8.37225 6.30129 8.34347 8.70636 8.26538 8.44506 13.0741 13.2876 numMergedOcc 0
9 mol 26 unq 4 iso 0 dist 9.72289 17.2928 9.80897 5.93227 8.34347 12.8257 10.9934 8.44506 16.1274 13.2876 numMergedOcc 0
10 mol 26 unq 5 iso 0 dist 9.72289 12.8246 8.37225 5.93227 8.34347 8.70636 10.9934 8.44506 13.0741 13.2876 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 6.47346 11.0685 8.59695 6.90896 5.83384 6.13737 5.75556 8.03372 7.36759 6.67948 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 6.47346 3.86284 6.42706 6.90896 5.83384 5.12351 5.75556 8.03372 7.79894 6.67948 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 7.14849 12.4035 9.63185 6.96904 6.69288 14.4816 6.72936 4.92088 6.80181 10.1489 numMergedOcc 0
14 mol 178 unq 1 iso 0 dist 7.14849 12.4035 9.63185 7.57303 6.43573 10.2893 6.72936 4.92088 6.80181 8.27339 numMergedOcc 0
15 mol 178 unq 2 iso 0 dist 7.14849 12.4035 9.63185 14.0459 7.17202 9.7684 6.72936 4.92088 6.80181 9.79302 numMergedOcc 0
16 mol 178 unq 3 iso 0 dist 7.14849 12.4035 9.63185 14.3001 8.81551 5.37264 6.72936 4.92088 6.80181 8.65097 numMergedOcc 0
17 mol 178 unq 4 iso 0 dist 8.63718 7.28647 9.63185 11.5509 6.69288 14.4816 9.74054 4.92088 6.80181 10.1489 numMergedOcc 0
18 mol 178 unq 5 iso 0 dist 8.63718 7.28647 9.63185 7.31401 6.43573 10.2893 9.74054 4.92088 6.80181 8.27339 numMergedOcc 0
19 mol 178 unq 6 iso 0 dist 8.63718 7.28647 9.63185 5.91018 7.17202 9.7684 9.74054 4.92088 6.80181 9.79302 numMergedOcc 0
20 mol 178 unq 7 iso 0 dist 8.63718 7.28647 9.63185 4.92895 8.81551 5.37264 9.74054 4.92088 6.80181 8.65097 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 6.20646 12.7269 9.44947 5.21426 7.10633 10.5243 8.75405 6.85441 4.80028 8.17229 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 6.20646 12.7269 9.44947 8.35604 8.51516 10.2677 8.75405 6.85441 4.80028 5.74707 numMergedOcc 0
23 mol 204 unq 2 iso 0 dist 6.73266 7.03981 9.44947 5.57112 7.10633 10.5243 7.32929 6.85441 4.80028 8.17229 numMergedOcc 0
24 mol 204 unq 3 iso 0 dist 6.73266 7.03981 9.44947 12.1292 8.51516 10.2677 7.32929 6.85441 4.80028 5.74707 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 6.04106 11.4325 7.51951 12.9245 7.26832 5.04299 10.0849 5.60393 6.95682 5.28092 numMergedOcc 0
26 mol 206 unq 0 iso 0 dist 7.51923 4.45877 8.95375 5.39127 8.02137 6.84704 7.21122 8.70977 11.157 6.3188 numMergedOcc 0
27 mol 206 unq 1 iso 0 dist 7.51923 4.45877 8.95375 5.1071 9.774 7.72969 7.21122 8.70977 11.157 9.9412 numMergedOcc 0
28 mol 206 unq 2 iso 0 dist 7.51923 10.6096 9.29007 5.39127 8.02137 12.4178 7.21122 8.70977 7.41593 6.3188 numMergedOcc 0
29 mol 206 unq 3 iso 0 dist 7.51923 10.6096 9.29007 5.1071 9.774 9.9578 7.21122 8.70977 7.41593 9.9412 numMergedOcc 0
30 mol 234 unq 0 iso 0 dist 6.15754 9.92466 5.46736 11.8245 8.34494 4.82695 14.1265 8.24186 9.52353 11.7705 numMergedOcc 0
31 mol 234 unq 1 iso 0 dist 6.15754 9.92466 5.46736 12.4455 6.56247 4.93623 14.1265 8.24186 9.52353 5.63086 numMergedOcc 0
32 mol 234 unq 2 iso 0 dist 6.15754 9.92466 5.46736 14.0876 9.36357 11.7817 14.1265 8.24186 9.52353 5.6819 numMergedOcc 0
33 mol 234 unq 3 iso 0 dist 6.6281 6.70367 5.46736 6.65785 8.34494 4.82695 14.0259 8.24186 9.52353 11.7705 numMergedOcc 0
34 mol 234 unq 4 iso 0 dist 6.6281 6.70367 5.46736 10.0624 6.56247 4.93623 14.0259 8.24186 9.52353 5.63086 numMergedOcc 0
35 mol 234 unq 5 iso 0 dist 6.6281 6.70367 5.46736 13.9869 9.36357 11.7817 14.0259 8.24186 9.52353 5.6819 numMergedOcc 0
36 mol 236 unq 0 iso 0 dist 5.99137 7.15062 7.87233 13.7629 9.81562 15.6279 10.968 8.50331 15.7632 7.22918 numMergedOcc 0
37 mol 236 unq 1 iso 0 dist 5.99137 7.15062 7.87233 13.3575 7.68742 13.7246 10.968 8.50331 15.7632 9.05842 numMergedOcc 0
38 mol 236 unq 2 iso 0 dist 5.99137 7.15062 7.87233 5.03598 6.27581 10.5269 10.968 8.50331 15.7632 7.00028 numMergedOcc 0
