0 mol 18 unq 0 iso 0 dist 6.45965 9.4649 13.0377 10.4274 7.9504 15.5045 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 9.74394 5.32407 8.78909 11.0193 8.41842 10.7134 numMergedOcc 0
2 mol 33 unq 1 iso 0 dist 9.74394 6.53102 9.45612 11.0193 8.41842 13.756 numMergedOcc 0
3 mol 33 unq 2 iso 0 dist 9.74394 7.76575 6.05212 11.0193 8.41842 11.5385 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 8.76979 9.08784 6.02003 6.34034 9.00405 5.06756 numMergedOcc 0
5 mol 69 unq 1 iso 0 dist 9.08784 8.76979 6.02003 6.34034 5.06756 9.00405 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 7.98824 9.42329 3.94577 5.09183 7.25561 8.97499 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 9.42329 7.98824 3.94577 5.09183 8.97499 7.25561 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 6.15185 7.11556 4.01481 11.3589 9.8067 12.5726 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 4.9418 9.71805 8.6162 5.9722 6.36357 12.4581 numMergedOcc 0
10 mol 103 unq 1 iso 0 dist 4.9418 5.7953 7.44304 5.9722 6.36357 5.52999 numMergedOcc 0
11 mol 103 unq 2 iso 0 dist 5.7953 9.71805 8.84187 5.9722 5.52999 12.4581 numMergedOcc 0
12 mol 103 unq 3 iso 0 dist 5.7953 4.9418 7.44304 5.9722 5.52999 6.36357 numMergedOcc 0
13 mol 128 unq 0 iso 0 dist 5.32517 7.6275 3.57533 8.86016 9.50023 12.928 numMergedOcc 0
14 mol 128 unq 1 iso 0 dist 5.32517 7.4738 10.0842 8.86016 9.50023 14.4333 numMergedOcc 0
15 mol 128 unq 2 iso 0 dist 5.32517 8.88867 11.7069 8.86016 9.50023 17.554 numMergedOcc 0
16 mol 128 unq 3 iso 0 dist 5.32517 7.04282 8.45681 8.86016 9.50023 15.7535 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 8.47476 6.74947 15.1471 13.6955 9.28415 19.4611 numMergedOcc 0
18 mol 154 unq 0 iso 0 dist 5.67586 7.53235 7.22219 9.08046 7.63904 14.1635 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 5.29176 6.32064 3.78668 8.26563 8.40718 11.1756 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 4.17978 9.39546 6.49745 6.21026 8.65468 14.0968 numMergedOcc 0
21 mol 223 unq 0 iso 0 dist 7.30699 9.5073 4.00983 7.99016 7.29418 8.63099 numMergedOcc 0
22 mol 223 unq 1 iso 0 dist 9.5073 7.30699 4.00983 7.99016 8.63099 7.29418 numMergedOcc 0
23 mol 226 unq 0 iso 0 dist 6.67272 9.45332 6.89 6.50848 7.54614 13.4004 numMergedOcc 0
24 mol 233 unq 0 iso 0 dist 8.83541 8.36772 9.80429 5.35285 6.87565 11.8021 numMergedOcc 0
25 mol 233 unq 1 iso 0 dist 8.83541 7.55878 9.74377 5.35285 6.87565 10.4618 numMergedOcc 0
