0 mol 29 unq 0 iso 0 dist 5.36278 6.69806 8.53135 4.10356 7.28761 7.27473 12.4023 13.735 15.7177 8.94936 numMergedOcc 0
1 mol 29 unq 1 iso 0 dist 7.50258 5.82508 8.53135 10.3687 7.28761 7.27473 19.0554 13.735 15.7177 8.94936 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.84944 11.3412 7.67459 10.9311 7.32236 11.1757 19.6842 13.1056 15.8918 9.07906 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.84944 11.3412 7.67459 10.9311 7.32236 11.1757 16.3573 13.0177 19.2466 8.75567 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 7.21995 5.88097 7.67459 6.43999 7.32236 11.1757 10.6604 13.1056 15.8918 9.07906 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 7.21995 5.88097 7.67459 6.43999 7.32236 11.1757 14.806 13.0177 19.2466 8.75567 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 9.65031 12.1354 9.27341 10.9552 9.17101 12.2127 19.3797 13.793 16.0753 8.86966 numMergedOcc 0
7 mol 152 unq 1 iso 0 dist 9.65031 12.1354 9.27341 10.9552 9.17101 12.2127 15.7694 11.2124 16.0158 5.7527 numMergedOcc 0
8 mol 152 unq 2 iso 0 dist 8.51844 6.67687 9.27341 6.05258 9.17101 12.2127 10.5594 13.793 16.0753 8.86966 numMergedOcc 0
9 mol 152 unq 3 iso 0 dist 8.51844 6.67687 9.27341 6.05258 9.17101 12.2127 10.166 11.2124 16.0158 5.7527 numMergedOcc 0
10 mol 170 unq 0 iso 0 dist 4.44987 11.8056 9.15159 5.80243 7.45761 12.8766 7.15418 4.81264 10.867 6.01758 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 6.72718 11.315 9.60838 11.4764 8.11956 11.4066 6.99623 5.25279 14.3771 9.37545 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 6.72718 11.315 9.60838 11.4764 8.11956 11.4066 11.2207 9.29114 16.0183 6.02579 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 6.2016 6.16078 5.83093 7.71442 5.90008 8.82579 11.6579 9.17442 14.685 8.63044 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 8.05949 11.5037 8.50367 11.533 6.93215 7.54885 10.7281 5.92474 11.7997 5.62219 numMergedOcc 0
15 mol 210 unq 1 iso 0 dist 8.05949 15.7959 8.94889 11.533 6.93215 10.4785 10.7281 5.92474 12.598 5.62219 numMergedOcc 0
16 mol 261 unq 0 iso 0 dist 7.58385 6.29331 8.25759 10.8524 9.66703 14.9805 11.3146 6.79406 14.5006 8.19348 numMergedOcc 0
17 mol 282 unq 0 iso 0 dist 8.54984 6.0405 8.30313 10.7231 9.82919 14.1269 11.1193 6.62554 13.7887 8.39723 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 5.15923 11.7624 9.30394 13.3487 9.82863 4.70335 13.6466 12.5774 11.5917 9.29241 numMergedOcc 0
19 mol 287 unq 1 iso 0 dist 5.15923 5.58788 5.84467 13.3487 9.82863 9.38112 13.6466 12.5774 11.8739 9.29241 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 5.15923 11.7624 9.30394 13.3487 9.82863 4.70335 13.6466 12.5774 11.5917 9.29241 numMergedOcc 0
21 mol 288 unq 1 iso 0 dist 5.15923 5.58788 5.84467 13.3487 9.82863 9.38112 13.6466 12.5774 11.8739 9.29241 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 5.15923 11.7624 9.30394 13.3487 9.82863 4.70335 13.6466 12.5774 11.5917 9.29241 numMergedOcc 0
23 mol 289 unq 1 iso 0 dist 5.15923 5.58788 5.84467 13.3487 9.82863 9.38112 13.6466 12.5774 11.8739 9.29241 numMergedOcc 0
