0 mol 8 unq 0 iso 0 dist 6.96907 5.12111 5.68648 9.03822 4.95703 7.92414 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.96907 5.12111 5.68648 11.9427 9.55219 6.82379 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.65828 4.52042 9.80897 12.3309 16.1274 8.44506 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.7939 10.539 5.36012 13.6282 9.94048 8.03303 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.85356 10.539 6.3777 13.6282 6.88106 8.03303 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.44695 7.03229 5.36012 15.04 9.94048 8.03303 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 5.68894 4.91508 5.36012 8.0534 9.94048 8.03303 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 7.32265 4.91508 6.3777 8.0534 6.88106 8.03303 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 7.26325 6.65856 6.42706 12.3218 7.79894 8.03372 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 9.23669 15.0515 9.44947 12.4092 4.80028 6.85441 numMergedOcc 0
10 mol 209 unq 0 iso 0 dist 8.8886 11.2558 9.62543 9.9518 3.88024 8.41195 numMergedOcc 0
11 mol 209 unq 1 iso 0 dist 8.78565 12.9345 9.62543 11.7733 3.88024 8.41195 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 9.57625 13.0808 5.39218 14.8157 7.67381 5.45036 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 9.57625 13.0808 5.39218 19.3757 10.0433 9.97586 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 7.99609 5.01062 7.73634 12.6432 10.8503 8.48341 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 8.73425 5.13233 9.04358 12.9634 9.27882 9.53063 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 7.79173 7.26296 9.65027 11.9107 8.13026 7.52109 numMergedOcc 0
17 mol 274 unq 1 iso 0 dist 7.79173 7.26296 9.65027 9.44207 5.99306 7.44083 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 9.24592 11.3986 8.19169 13.8823 7.91417 9.74402 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 9.24592 11.3986 8.19169 13.8823 7.91417 9.74402 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 9.24592 11.3986 8.19169 13.8823 7.91417 9.74402 numMergedOcc 0
