0 mol 12 unq 0 iso 0 dist 5.44478 7.77531 9.78092 5.70264 8.15864 11.9718 8.59097 10.1259 9.99955 6.6051 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.83248 8.21283 9.79678 10.3387 8.84944 4.22382 15.1543 12.0149 11.2099 7.21995 numMergedOcc 0
2 mol 131 unq 0 iso 0 dist 9.43182 7.79976 9.08036 8.73734 9.19171 13.8836 7.78004 7.88461 13.1104 6.08846 numMergedOcc 0
3 mol 131 unq 1 iso 0 dist 5.23223 6.94555 9.08036 7.28525 9.19171 13.8836 6.53758 7.88461 13.1104 6.08846 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 4.46578 8.20979 8.08807 10.008 8.76088 8.17831 12.1805 9.34083 7.74278 5.79195 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 4.46578 8.20979 8.08807 10.008 8.76088 8.17831 13.3116 11.2107 16.0524 9.2759 numMergedOcc 0
6 mol 165 unq 0 iso 0 dist 3.87901 7.23314 7.74717 8.4352 7.21397 14.5599 13.7685 11.6064 18.5991 9.8755 numMergedOcc 0
7 mol 165 unq 1 iso 0 dist 3.87901 7.23314 7.74717 8.4352 7.21397 14.5599 12.0168 8.33453 14.8243 8.46714 numMergedOcc 0
8 mol 165 unq 2 iso 0 dist 5.04534 10.0295 7.74717 5.73847 7.21397 14.5599 14.0728 11.6064 18.5991 9.8755 numMergedOcc 0
9 mol 165 unq 3 iso 0 dist 5.04534 10.0295 7.74717 5.73847 7.21397 14.5599 10.9999 8.33453 14.8243 8.46714 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 9.58783 4.13188 9.95547 11.4343 9.11481 13.7959 11.2511 6.11195 13.5524 7.41092 numMergedOcc 0
11 mol 182 unq 0 iso 0 dist 7.03216 9.88308 8.22267 4.60682 8.27913 9.4786 9.42196 9.61687 15.921 8.85111 numMergedOcc 0
12 mol 182 unq 1 iso 0 dist 7.03216 9.88308 8.22267 4.60682 8.27913 9.4786 10.7536 11.427 12.1334 6.38335 numMergedOcc 0
13 mol 250 unq 0 iso 0 dist 5.75551 7.3959 9.16575 4.11548 5.07895 4.24715 9.73318 6.53265 11.1779 8.51703 numMergedOcc 0
14 mol 283 unq 0 iso 0 dist 6.89455 10.9579 8.53155 9.33643 9.28067 9.90768 9.82337 7.89565 12.7588 5.71075 numMergedOcc 0
15 mol 283 unq 1 iso 0 dist 9.82337 15.3462 8.92124 9.33643 5.71075 6.69432 6.89455 7.89565 15.3758 9.28067 numMergedOcc 0
16 mol 283 unq 2 iso 0 dist 8.07626 12.7444 8.53155 6.76599 9.28067 9.90768 6.3448 7.89565 12.7588 5.71075 numMergedOcc 0
17 mol 283 unq 3 iso 0 dist 6.3448 11.5206 8.92124 6.76599 5.71075 6.69432 8.07626 7.89565 15.3758 9.28067 numMergedOcc 0
18 mol 293 unq 0 iso 0 dist 8.27274 11.1018 9.15753 6.26633 6.42608 11.0181 10.3468 6.3489 13.0736 4.72125 numMergedOcc 0
19 mol 293 unq 1 iso 0 dist 8.27274 11.1018 9.15753 6.26633 6.42608 11.0181 6.02106 5.34794 12.5645 7.41524 numMergedOcc 0
