0 mol 8 unq 0 iso 0 dist 9.68072 9.74854 7.36439 4.35292 10.9753 9.83409 numMergedOcc 0
1 mol 71 unq 0 iso 0 dist 8.58853 8.25891 10.7927 10.9987 14.5622 4.87423 numMergedOcc 0
2 mol 71 unq 1 iso 0 dist 8.58853 8.25891 10.7927 5.14057 13.1378 7.75237 numMergedOcc 0
3 mol 74 unq 0 iso 0 dist 7.15667 9.67265 7.11496 5.45141 9.80207 9.50176 numMergedOcc 0
4 mol 74 unq 1 iso 0 dist 7.15667 9.67265 7.11496 9.56781 10.7966 7.56791 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 9.56049 6.98288 5.86285 4.21416 8.95808 7.78306 numMergedOcc 0
6 mol 83 unq 1 iso 0 dist 9.23036 8.05582 14.1947 10.9031 14.8155 9.37024 numMergedOcc 0
7 mol 83 unq 2 iso 0 dist 6.76617 8.05582 9.23397 10.9031 15.1551 9.37024 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 9.32214 8.57865 8.65051 8.15855 15.089 9.38035 numMergedOcc 0
9 mol 120 unq 1 iso 0 dist 9.32214 9.52648 9.80572 5.59968 13.1357 8.39101 numMergedOcc 0
10 mol 120 unq 2 iso 0 dist 7.61244 9.54592 9.80572 10.5494 13.1357 8.39101 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 6.52227 5.77703 3.80626 5.49686 6.95914 8.51265 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 7.6395 6.18528 6.07309 4.23703 9.53814 5.34451 numMergedOcc 0
13 mol 148 unq 1 iso 0 dist 7.6395 6.18528 6.07309 6.5387 12.0644 9.74966 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 7.67343 6.13554 6.06354 4.0525 10.0132 6.6175 numMergedOcc 0
15 mol 150 unq 1 iso 0 dist 7.67343 6.13554 6.06354 6.67151 12.1846 9.87914 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 8.67838 6.63046 6.6215 5.90964 10.2388 4.35909 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 8.67838 6.63046 6.6215 6.18164 4.96259 5.77393 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 9.61657 7.82527 6.2052 4.84006 11.3863 7.0166 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 9.61657 7.82527 6.2052 13.2493 14.8419 8.75468 numMergedOcc 0
20 mol 251 unq 0 iso 0 dist 6.70168 4.89999 6.23285 7.02327 12.3193 8.20341 numMergedOcc 0
21 mol 251 unq 1 iso 0 dist 6.70168 4.89999 6.23285 5.82947 12.4814 8.65547 numMergedOcc 0
22 mol 252 unq 0 iso 0 dist 6.68688 5.42327 9.75362 6.68415 8.63848 7.74647 numMergedOcc 0
23 mol 252 unq 1 iso 0 dist 9.17576 5.42327 5.76325 6.68415 12.9296 7.74647 numMergedOcc 0
24 mol 255 unq 0 iso 0 dist 7.51273 7.45899 4.54289 7.3684 11.7808 9.51384 numMergedOcc 0
