0 mol 10 unq 0 iso 0 dist 9.10885 12.548 5.8369 13.101 8.53083 9.6451 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.10885 8.01898 8.06428 13.101 8.53083 7.55253 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 4.49593 7.17655 9.28621 10.769 8.67111 8.51428 numMergedOcc 0
3 mol 143 unq 0 iso 0 dist 8.72521 11.2808 6.38786 17.6548 10.2275 9.31435 numMergedOcc 0
4 mol 158 unq 0 iso 0 dist 4.80508 8.67293 9.98554 16.3574 17.1307 7.76952 numMergedOcc 0
5 mol 182 unq 0 iso 0 dist 8.43599 4.60682 9.75791 10.4704 9.53656 7.52751 numMergedOcc 0
6 mol 233 unq 0 iso 0 dist 9.63067 9.93927 7.97911 11.3269 6.61303 9.8976 numMergedOcc 0
7 mol 254 unq 0 iso 0 dist 8.4346 9.57287 9.672 7.97728 2.67738 9.15233 numMergedOcc 0
8 mol 254 unq 1 iso 0 dist 7.97728 9.57287 9.15233 8.4346 2.67738 9.672 numMergedOcc 0
9 mol 256 unq 0 iso 0 dist 7.212 7.21141 7.44294 13.0541 6.42967 9.62515 numMergedOcc 0
10 mol 266 unq 0 iso 0 dist 9.02396 10.9946 6.39822 7.48115 3.00605 5.36518 numMergedOcc 0
11 mol 266 unq 1 iso 0 dist 9.02396 13.3166 8.61077 13.7319 5.76129 9.90506 numMergedOcc 0
12 mol 266 unq 2 iso 0 dist 9.02396 13.3166 8.61077 7.48115 3.00605 9.11585 numMergedOcc 0
13 mol 266 unq 3 iso 0 dist 7.48115 10.9946 5.36518 9.02396 3.00605 6.39822 numMergedOcc 0
14 mol 266 unq 4 iso 0 dist 7.48115 13.3166 9.11585 13.7319 8.75066 9.90506 numMergedOcc 0
15 mol 266 unq 5 iso 0 dist 7.48115 13.3166 9.11585 9.02396 3.00605 8.61077 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 9.00122 4.21815 8.90967 6.47907 3.75238 6.40861 numMergedOcc 0
17 mol 277 unq 1 iso 0 dist 6.47907 4.21815 6.40861 9.00122 3.75238 8.90967 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 6.68956 12.2037 8.39976 18.7027 13.001 7.82157 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 6.68956 12.2037 8.39976 18.7027 13.001 7.82157 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 6.68956 12.2037 8.39976 18.7027 13.001 7.82157 numMergedOcc 0
