0 mol 16 unq 0 iso 0 dist 8.17898 9.04834 10.2656 8.17747 9.30471 10.3488 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 6.53817 9.81769 5.14154 11.2244 8.58312 9.52965 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 6.25914 6.03755 5.43882 7.13948 6.65254 8.97965 numMergedOcc 0
3 mol 55 unq 1 iso 0 dist 6.03755 6.25914 5.43882 7.13948 8.97965 6.65254 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.10915 7.02352 9.21892 14.1348 8.75668 14.6117 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 6.99398 7.96 4.52996 5.4212 9.2223 10.578 numMergedOcc 0
6 mol 67 unq 1 iso 0 dist 8.64208 7.9572 7.99329 4.94708 9.2223 11.873 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 6.87176 7.45675 10.2272 5.48662 7.89424 10.2228 numMergedOcc 0
8 mol 68 unq 1 iso 0 dist 7.45675 6.87176 10.2272 12.5241 9.27389 18.0575 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 5.67862 7.97208 5.00817 5.4503 6.48328 11.0053 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 7.97208 5.67862 5.00817 12.0402 8.86784 11.3169 numMergedOcc 0
11 mol 140 unq 0 iso 0 dist 9.41832 5.44596 6.43459 6.00504 8.67876 9.11235 numMergedOcc 0
12 mol 140 unq 1 iso 0 dist 9.41832 9.69069 8.90548 6.00504 8.67876 8.15118 numMergedOcc 0
13 mol 140 unq 2 iso 0 dist 5.44596 9.41832 6.43459 6.00504 9.11235 8.67876 numMergedOcc 0
14 mol 140 unq 3 iso 0 dist 5.44596 9.69069 9.87462 6.00504 9.11235 8.15118 numMergedOcc 0
15 mol 140 unq 4 iso 0 dist 9.69069 9.41832 8.90548 6.00504 8.15118 8.67876 numMergedOcc 0
16 mol 140 unq 5 iso 0 dist 9.69069 5.44596 9.87462 6.00504 8.15118 9.11235 numMergedOcc 0
17 mol 185 unq 0 iso 0 dist 8.12755 8.94984 7.92846 5.61207 8.8978 5.03193 numMergedOcc 0
18 mol 185 unq 1 iso 0 dist 8.94984 8.12755 7.92846 5.61207 5.03193 8.8978 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 7.7292 6.27396 12.5143 15.6012 9.44947 18.8751 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 7.30244 7.29796 6.89336 17.06 9.9693 13.0702 numMergedOcc 0
21 mol 236 unq 0 iso 0 dist 6.36941 9.97357 7.28249 13.8826 7.87233 9.13551 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 7.98022 8.89538 13.0839 10.558 4.80834 16.7074 numMergedOcc 0
