0 mol 55 unq 0 iso 0 dist 8.57528 4.31691 9.89804 10.4009 10.1436 9.3341 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 8.24934 6.96815 9.89804 5.12277 10.1436 9.3341 numMergedOcc 0
2 mol 91 unq 0 iso 0 dist 8.01351 5.75219 6.93893 8.42914 10.1359 7.42828 numMergedOcc 0
3 mol 91 unq 1 iso 0 dist 8.01351 5.75219 6.93893 8.17327 11.3866 5.98441 numMergedOcc 0
4 mol 91 unq 2 iso 0 dist 8.01351 5.75219 6.93893 9.52936 9.36488 5.45873 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 9.4557 9.22115 9.13614 9.31684 9.91621 8.82036 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 5.68406 4.46354 8.46376 9.1717 8.04699 7.57714 numMergedOcc 0
7 mol 141 unq 1 iso 0 dist 9.46329 6.74216 8.46376 8.8319 8.04699 7.57714 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 9.1678 6.4617 7.23059 13.2004 11.9567 8.94488 numMergedOcc 0
9 mol 158 unq 1 iso 0 dist 9.94593 6.99918 7.23059 10.3574 11.9567 8.94488 numMergedOcc 0
10 mol 173 unq 0 iso 0 dist 8.87968 12.1363 9.31172 9.88796 5.45307 6.07708 numMergedOcc 0
11 mol 192 unq 0 iso 0 dist 8.43359 6.61047 7.37823 13.9129 10.6534 8.6938 numMergedOcc 0
12 mol 192 unq 1 iso 0 dist 8.43359 6.61047 7.37823 11.3583 11.2457 7.50854 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 6.17408 12.4808 9.85821 14.2439 8.46479 9.499 numMergedOcc 0
14 mol 239 unq 1 iso 0 dist 6.17602 13.9899 9.85821 13.3949 8.46479 9.499 numMergedOcc 0
15 mol 247 unq 0 iso 0 dist 6.23164 4.46 6.29945 6.52457 10.2114 8.46644 numMergedOcc 0
16 mol 252 unq 0 iso 0 dist 8.85493 5.86715 7.60896 12.3458 5.3246 9.41595 numMergedOcc 0
17 mol 278 unq 0 iso 0 dist 9.79758 4.19643 8.30195 6.08019 11.0702 9.62872 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 8.93979 15.151 9.24164 17.9008 10.1375 6.35591 numMergedOcc 0
19 mol 280 unq 0 iso 0 dist 7.61357 6.58462 7.42529 6.42515 13.3704 9.33975 numMergedOcc 0
20 mol 280 unq 1 iso 0 dist 7.61357 6.58462 7.42529 9.8581 14.1092 7.18775 numMergedOcc 0
