0 mol 69 unq 0 iso 0 dist 7.00234 9.56859 10.4187 7.55848 7.30652 5.75135 numMergedOcc 0
1 mol 69 unq 1 iso 0 dist 7.30652 5.75135 10.4187 7.55848 7.00234 9.56859 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 7.41861 6.46582 8.58474 12.5963 8.92491 16.1417 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 6.77845 9.94528 4.48523 6.07706 5.48555 8.94777 numMergedOcc 0
4 mol 83 unq 1 iso 0 dist 6.77845 9.94528 4.48523 5.8054 5.39805 9.28583 numMergedOcc 0
5 mol 83 unq 2 iso 0 dist 5.48555 8.94777 4.48523 6.07706 6.77845 9.94528 numMergedOcc 0
6 mol 83 unq 3 iso 0 dist 5.48555 8.94777 4.48523 7.55807 5.39805 9.28583 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 6.9268 4.82356 4.63862 7.57921 8.19166 8.83476 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 9.56319 8.22722 6.208 10.5425 9.73038 8.52036 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 6.65267 8.22722 3.60683 15.4322 9.48694 10.4344 numMergedOcc 0
10 mol 133 unq 3 iso 0 dist 9.73038 8.52036 6.208 10.5425 9.56319 8.22722 numMergedOcc 0
11 mol 133 unq 4 iso 0 dist 8.19166 8.83476 4.63862 7.57921 6.9268 4.82356 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 9.73865 9.48934 10.3186 9.03348 8.52591 6.41183 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 8.52591 6.41183 10.3186 9.03348 9.73865 9.48934 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 8.39087 8.95296 11.1876 7.49794 9.63473 16.0097 numMergedOcc 0
15 mol 169 unq 0 iso 0 dist 6.09291 7.50458 10.1931 12.0967 9.76796 13.1014 numMergedOcc 0
16 mol 169 unq 1 iso 0 dist 6.09291 7.50458 10.1931 12.9289 9.90583 11.8729 numMergedOcc 0
17 mol 169 unq 2 iso 0 dist 6.09291 5.79554 10.5136 12.0967 9.76796 12.3054 numMergedOcc 0
18 mol 169 unq 3 iso 0 dist 6.09291 5.79554 10.5136 12.9289 9.90583 12.9435 numMergedOcc 0
19 mol 169 unq 4 iso 0 dist 6.09291 4.22003 10.212 12.0967 9.76796 14.1761 numMergedOcc 0
20 mol 169 unq 5 iso 0 dist 6.09291 4.22003 10.212 12.9289 9.90583 15.2645 numMergedOcc 0
21 mol 185 unq 0 iso 0 dist 5.7065 9.1549 9.70184 5.81461 8.83768 13.3509 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 8.47833 8.93485 6.82382 4.20051 5.47586 5.66636 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 5.05912 8.93485 9.27501 5.80929 5.81277 13.0087 numMergedOcc 0
24 mol 205 unq 2 iso 0 dist 5.05912 8.93485 9.27501 4.20051 6.60429 5.66636 numMergedOcc 0
25 mol 205 unq 3 iso 0 dist 5.47586 5.66636 6.82382 4.20051 8.47833 8.93485 numMergedOcc 0
26 mol 205 unq 4 iso 0 dist 6.60429 5.66636 9.27501 9.66755 5.81277 13.0087 numMergedOcc 0
27 mol 205 unq 5 iso 0 dist 6.60429 5.66636 9.27501 4.20051 5.05912 8.93485 numMergedOcc 0
28 mol 233 unq 0 iso 0 dist 9.44671 9.69772 7.82473 12.6778 7.20629 14.8987 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 6.94194 8.69334 10.4402 4.83206 6.74849 13.0519 numMergedOcc 0
30 mol 258 unq 0 iso 0 dist 5.9223 6.61322 5.05766 8.6851 8.53084 11.7986 numMergedOcc 0
31 mol 265 unq 0 iso 0 dist 9.94957 5.8898 13.1075 10.4994 8.5774 15.8473 numMergedOcc 0
32 mol 265 unq 1 iso 0 dist 9.94957 5.8898 13.1075 5.97995 8.01664 10.5571 numMergedOcc 0
