0 mol 55 unq 0 iso 0 dist 9.46633 13.6455 8.03504 11.2058 7.87739 9.40104 numMergedOcc 0
1 mol 55 unq 0 iso 1 dist 9.46633 11.2058 7.87739 13.6455 8.03504 9.40104 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 8.78393 4.27997 8.0757 11.9782 9.8958 8.97054 numMergedOcc 0
3 mol 56 unq 0 iso 1 dist 8.78393 11.9782 9.8958 4.27997 8.0757 8.97054 numMergedOcc 0
4 mol 56 unq 1 iso 0 dist 8.99619 6.41952 8.0757 4.83605 9.8958 8.97054 numMergedOcc 0
5 mol 56 unq 1 iso 1 dist 8.99619 4.83605 9.8958 6.41952 8.0757 8.97054 numMergedOcc 0
6 mol 89 unq 0 iso 0 dist 9.46197 13.3363 6.86861 5.44941 9.1784 11.2593 numMergedOcc 0
7 mol 89 unq 0 iso 1 dist 9.46197 5.44941 9.1784 13.3363 6.86861 11.2593 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 7.40481 11.3093 6.62952 6.41542 4.3521 5.4823 numMergedOcc 0
9 mol 98 unq 0 iso 1 dist 7.40481 6.41542 4.3521 11.3093 6.62952 5.4823 numMergedOcc 0
10 mol 99 unq 0 iso 0 dist 9.49001 9.15595 9.39801 6.73829 6.02154 4.8794 numMergedOcc 0
11 mol 99 unq 0 iso 1 dist 9.49001 6.73829 6.02154 9.15595 9.39801 4.8794 numMergedOcc 0
12 mol 99 unq 1 iso 0 dist 7.55765 5.91888 4.82346 10.0064 8.07233 4.8794 numMergedOcc 0
13 mol 99 unq 1 iso 1 dist 7.55765 10.0064 8.07233 5.91888 4.82346 4.8794 numMergedOcc 0
14 mol 101 unq 0 iso 0 dist 8.70947 8.24111 9.60223 5.23253 7.11476 6.21457 numMergedOcc 0
15 mol 101 unq 0 iso 1 dist 8.70947 5.23253 7.11476 8.24111 9.60223 6.21457 numMergedOcc 0
16 mol 104 unq 0 iso 0 dist 5.74478 6.02556 7.32917 4.09273 8.84844 5.26833 numMergedOcc 0
17 mol 104 unq 0 iso 1 dist 5.74478 4.09273 8.84844 6.02556 7.32917 5.26833 numMergedOcc 0
18 mol 172 unq 0 iso 0 dist 9.91479 13.0825 7.77643 12.1824 4.90175 5.65773 numMergedOcc 0
19 mol 172 unq 0 iso 1 dist 9.91479 12.1824 4.90175 13.0825 7.77643 5.65773 numMergedOcc 0
20 mol 209 unq 0 iso 0 dist 8.31544 5.96238 8.8886 5.04469 8.78565 6.11542 numMergedOcc 0
21 mol 209 unq 0 iso 1 dist 8.31544 5.04469 8.78565 5.96238 8.8886 6.11542 numMergedOcc 0
22 mol 267 unq 0 iso 0 dist 7.71379 5.23721 5.72144 5.05875 6.79491 7.06028 numMergedOcc 0
23 mol 267 unq 0 iso 1 dist 7.71379 5.05875 6.79491 5.23721 5.72144 7.06028 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 5.37738 10.6569 6.40125 4.09948 7.25282 11.8204 numMergedOcc 0
25 mol 277 unq 0 iso 1 dist 5.37738 4.09948 7.25282 10.6569 6.40125 11.8204 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 6.74021 5.33357 8.52827 9.67694 7.14122 7.00034 numMergedOcc 0
27 mol 279 unq 0 iso 1 dist 6.74021 9.67694 7.14122 5.33357 8.52827 7.00034 numMergedOcc 0
