0 mol 55 unq 0 iso 0 dist 7.6314 11.1268 8.03504 5.44326 6.65254 8.38443 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 7.6314 11.1268 8.03504 10.82 8.97965 7.60951 numMergedOcc 0
2 mol 55 unq 2 iso 0 dist 7.6314 11.1268 8.03504 5.99412 8.94235 7.3265 numMergedOcc 0
3 mol 55 unq 3 iso 0 dist 7.6314 6.48194 7.87739 5.44326 6.65254 9.41439 numMergedOcc 0
4 mol 55 unq 4 iso 0 dist 7.6314 6.48194 7.87739 10.82 8.97965 13.3483 numMergedOcc 0
5 mol 55 unq 5 iso 0 dist 7.6314 6.48194 7.87739 5.99412 8.94235 5.33255 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.50028 12.1332 6.85356 14.2704 6.3777 10.539 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.50028 14.2641 7.32265 14.2704 6.3777 4.91508 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 8.38998 10.9086 9.00302 6.24685 7.32156 4.98189 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 8.98949 5.7687 6.45169 8.78709 8.88233 6.92535 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.13917 5.08182 5.92836 17.9704 9.47554 14.5299 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 6.53862 7.587 9.82274 8.27211 9.1146 15.3123 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 6.53862 8.82521 9.02712 8.27211 9.1146 10.4303 numMergedOcc 0
13 mol 172 unq 0 iso 0 dist 8.26094 10.209 7.77643 13.0867 9.18538 5.78278 numMergedOcc 0
14 mol 172 unq 1 iso 0 dist 8.26094 11.546 4.90175 13.0867 9.18538 5.25252 numMergedOcc 0
15 mol 198 unq 0 iso 0 dist 9.83891 6.1644 7.62505 12.8078 9.19061 6.95439 numMergedOcc 0
16 mol 211 unq 0 iso 0 dist 8.14513 10.0612 9.24739 10.7864 9.26395 7.59113 numMergedOcc 0
17 mol 211 unq 1 iso 0 dist 8.14513 10.0612 9.24739 9.4877 7.3748 11.3709 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 9.92349 5.4891 9.57625 14.8454 5.39218 13.0808 numMergedOcc 0
19 mol 226 unq 0 iso 0 dist 7.64898 5.27976 8.24741 12.9835 9.30975 12.6212 numMergedOcc 0
20 mol 226 unq 1 iso 0 dist 7.64898 5.27976 8.24741 13.1572 9.14028 10.78 numMergedOcc 0
21 mol 226 unq 2 iso 0 dist 7.64898 4.67471 5.07958 12.9835 9.30975 9.83787 numMergedOcc 0
22 mol 226 unq 3 iso 0 dist 7.64898 4.67471 5.07958 13.1572 9.14028 11.3247 numMergedOcc 0
23 mol 226 unq 4 iso 0 dist 7.64898 13.1475 6.19519 12.9835 9.30975 6.6871 numMergedOcc 0
24 mol 226 unq 5 iso 0 dist 7.64898 13.1475 6.19519 13.1572 9.14028 6.19485 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 8.66923 10.2699 7.75366 6.77788 4.80834 10.1036 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 9.32251 15.8365 9.78704 10.3684 6.11671 5.55516 numMergedOcc 0
