0 mol 44 unq 0 iso 0 dist 4.97954 8.59022 7.81854 5.55889 9.32074 8.54284 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 9.20117 8.59022 8.99329 5.55889 13.5124 8.54284 numMergedOcc 0
2 mol 44 unq 2 iso 0 dist 8.72535 8.59022 8.90976 5.55889 12.8419 8.54284 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 9.89949 7.68916 10.8037 6.17242 10.4083 7.47417 numMergedOcc 0
4 mol 53 unq 0 iso 0 dist 6.47588 8.61163 7.21475 6.00278 10.0995 7.80805 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 6.17977 7.67586 5.34079 10.8184 9.76644 8.97292 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 8.63732 6.89185 6.6573 8.8271 11.6999 5.5849 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 8.63732 6.89185 6.6573 13.7476 13.9491 8.75605 numMergedOcc 0
8 mol 78 unq 2 iso 0 dist 7.50417 7.80757 4.4651 15.2159 9.93708 9.2835 numMergedOcc 0
9 mol 78 unq 3 iso 0 dist 7.50417 7.80757 4.4651 10.2326 6.28063 5.02591 numMergedOcc 0
10 mol 78 unq 4 iso 0 dist 7.50417 5.5849 9.31889 8.8271 9.95361 6.89185 numMergedOcc 0
11 mol 78 unq 5 iso 0 dist 7.50417 5.5849 9.31889 5.45378 11.9024 8.75605 numMergedOcc 0
12 mol 78 unq 6 iso 0 dist 8.29369 9.2835 7.17843 15.2159 11.1617 7.80757 numMergedOcc 0
13 mol 78 unq 7 iso 0 dist 8.29369 9.2835 7.17843 5.08698 6.75455 5.02591 numMergedOcc 0
14 mol 78 unq 8 iso 0 dist 6.75455 5.02591 7.17843 10.2326 11.1617 7.80757 numMergedOcc 0
15 mol 78 unq 9 iso 0 dist 6.75455 5.02591 7.17843 5.08698 8.29369 9.2835 numMergedOcc 0
16 mol 78 unq 10 iso 0 dist 6.28063 5.02591 4.4651 10.2326 7.50417 7.80757 numMergedOcc 0
17 mol 78 unq 11 iso 0 dist 6.28063 5.02591 4.4651 5.08698 9.93708 9.2835 numMergedOcc 0
18 mol 89 unq 0 iso 0 dist 6.68154 8.89514 6.46605 12.7737 14.6896 9.51842 numMergedOcc 0
19 mol 123 unq 0 iso 0 dist 8.64091 8.87148 4.07494 5.33782 11.1853 9.26057 numMergedOcc 0
20 mol 213 unq 0 iso 0 dist 5.67616 4.71403 4.70115 6.46536 10.5843 8.10356 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 6.99667 8.3035 4.55245 7.54507 6.22499 9.01896 numMergedOcc 0
22 mol 214 unq 1 iso 0 dist 6.22499 9.01896 4.55245 7.54507 6.99667 8.3035 numMergedOcc 0
23 mol 217 unq 0 iso 0 dist 6.00351 8.28941 6.20364 14.9224 14.9254 9.55587 numMergedOcc 0
24 mol 217 unq 1 iso 0 dist 6.00351 8.28941 6.20364 14.1541 15.078 9.38111 numMergedOcc 0
