0 mol 11 unq 0 iso 0 dist 6.84216 10.7734 9.81983 5.96346 6.76736 7.98326 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.84216 10.7734 9.81983 13.3734 13.5186 7.90478 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 8.70792 4.03817 5.16502 9.78331 6.43075 7.92012 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.23075 5.11617 7.85986 6.73939 12.2839 6.72323 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 4.7841 4.50066 7.03544 6.73939 6.22954 4.2121 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 4.7841 5.11617 4.30252 6.73939 6.22954 6.72323 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 7.98005 10.797 9.82851 15.8536 12.335 7.35861 numMergedOcc 0
7 mol 26 unq 1 iso 0 dist 7.98005 10.9837 9.11311 11.9684 12.5394 6.56527 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 7.15542 8.82805 7.20729 13.1848 11.7978 8.19993 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 5.25027 7.23157 6.2576 11.1154 6.07693 8.03296 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 5.25027 7.23157 6.2576 8.77598 5.25584 9.26979 numMergedOcc 0
11 mol 79 unq 2 iso 0 dist 5.25027 12.5946 8.96069 11.1154 6.07693 5.82754 numMergedOcc 0
12 mol 79 unq 3 iso 0 dist 5.25027 12.5946 8.96069 8.77598 5.25584 9.05679 numMergedOcc 0
13 mol 79 unq 4 iso 0 dist 5.25027 9.69296 7.56495 15.1227 13.2204 9.78384 numMergedOcc 0
14 mol 79 unq 5 iso 0 dist 5.25027 9.69296 7.56495 11.1154 6.07693 8.87742 numMergedOcc 0
15 mol 79 unq 6 iso 0 dist 5.25027 9.69296 7.56495 8.77598 5.25584 4.93468 numMergedOcc 0
16 mol 79 unq 7 iso 0 dist 4.37025 9.69296 7.63923 15.1227 10.8598 9.78384 numMergedOcc 0
17 mol 79 unq 8 iso 0 dist 4.37025 9.69296 7.63923 11.1154 10.8556 8.87742 numMergedOcc 0
18 mol 79 unq 9 iso 0 dist 4.37025 9.69296 7.63923 8.77598 5.79629 4.93468 numMergedOcc 0
19 mol 92 unq 0 iso 0 dist 4.17838 7.05542 8.43964 10.2298 7.08542 9.60622 numMergedOcc 0
20 mol 102 unq 0 iso 0 dist 5.54256 4.48396 6.07633 8.31932 7.28191 8.88394 numMergedOcc 0
21 mol 113 unq 0 iso 0 dist 7.02367 7.27193 9.62952 8.8822 5.40648 6.6317 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 4.80684 5.92984 6.21165 9.84094 5.77063 7.20249 numMergedOcc 0
23 mol 119 unq 1 iso 0 dist 7.60162 7.45148 6.21165 8.99399 5.77063 7.20249 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 8.25985 4.9377 9.78273 13.7227 12.3206 9.78181 numMergedOcc 0
25 mol 232 unq 1 iso 0 dist 8.25985 4.9377 9.78273 9.05071 12.159 9.8664 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 5.72327 7.8636 6.23115 14.7058 12.1127 8.20644 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 5.81301 9.87336 6.23115 17.3351 12.1127 8.20644 numMergedOcc 0
28 mol 277 unq 2 iso 0 dist 9.81201 11.4648 6.23115 19.5003 12.1127 8.20644 numMergedOcc 0
