0 mol 26 unq 0 iso 0 dist 5.29367 7.10804 6.90338 14.4334 13.7128 8.65828 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.07937 7.10804 5.29322 14.4334 11.0942 8.65828 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 6.42206 8.64424 5.29322 8.23892 11.0942 8.65828 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 9.16551 7.40218 5.73343 4.48566 10.39 8.47518 numMergedOcc 0
4 mol 81 unq 0 iso 0 dist 8.68497 7.31138 6.32585 4.37412 11.343 9.24998 numMergedOcc 0
5 mol 99 unq 0 iso 0 dist 7.28774 8.6659 5.36117 6.39308 10.2546 9.39801 numMergedOcc 0
6 mol 99 unq 1 iso 0 dist 7.28774 8.6659 5.36117 6.04335 5.61946 4.82346 numMergedOcc 0
7 mol 99 unq 2 iso 0 dist 7.28774 8.6659 5.36117 6.13115 9.4431 8.89165 numMergedOcc 0
8 mol 99 unq 3 iso 0 dist 7.28774 8.4731 7.21001 6.39308 10.2546 6.02154 numMergedOcc 0
9 mol 99 unq 4 iso 0 dist 7.28774 8.4731 7.21001 6.04335 5.61946 8.07233 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 8.87505 7.50959 5.76927 4.66619 5.74058 6.21554 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 5.59311 7.55581 6.70307 6.14253 9.56319 5.92836 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 5.59311 7.55581 6.70307 4.88407 6.65267 4.73804 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 9.22456 7.55581 11.4625 6.14253 14.2363 5.92836 numMergedOcc 0
14 mol 133 unq 3 iso 0 dist 9.22456 7.55581 11.4625 4.88407 11.5349 4.73804 numMergedOcc 0
15 mol 133 unq 4 iso 0 dist 5.7232 7.55581 12.974 6.14253 9.73038 5.92836 numMergedOcc 0
16 mol 133 unq 5 iso 0 dist 5.7232 7.55581 12.974 4.88407 10.064 4.73804 numMergedOcc 0
17 mol 173 unq 0 iso 0 dist 7.76856 5.15834 11.8927 6.2739 6.60418 8.44321 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.94464 8.99149 15.6006 16.8109 21.745 9.58817 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 8.63713 8.99149 6.84793 16.8109 14.2747 9.58817 numMergedOcc 0
20 mol 233 unq 0 iso 0 dist 6.01193 8.25961 9.31629 10.2069 14.7486 9.53639 numMergedOcc 0
21 mol 241 unq 0 iso 0 dist 7.79013 4.66398 5.19565 10.4606 10.8893 8.00841 numMergedOcc 0
22 mol 241 unq 1 iso 0 dist 9.33399 9.05448 5.19565 5.2107 10.8893 8.00841 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 7.75212 8.72085 3.63328 5.05806 10.656 9.84741 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 7.90634 8.72085 10.5636 5.05806 7.3388 9.84741 numMergedOcc 0
25 mol 287 unq 2 iso 0 dist 8.19213 8.85872 14.8829 9.44841 17.3697 7.58907 numMergedOcc 0
26 mol 287 unq 3 iso 0 dist 5.80664 8.85872 7.06855 9.44841 12.0454 7.58907 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 7.75212 8.72085 3.63328 5.05806 10.656 9.84741 numMergedOcc 0
28 mol 288 unq 1 iso 0 dist 7.90634 8.72085 10.5636 5.05806 7.3388 9.84741 numMergedOcc 0
29 mol 288 unq 2 iso 0 dist 8.19213 8.85872 14.8829 9.44841 17.3697 7.58907 numMergedOcc 0
30 mol 288 unq 3 iso 0 dist 5.80664 8.85872 7.06855 9.44841 12.0454 7.58907 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 7.75212 8.72085 3.63328 5.05806 10.656 9.84741 numMergedOcc 0
32 mol 289 unq 1 iso 0 dist 7.90634 8.72085 10.5636 5.05806 7.3388 9.84741 numMergedOcc 0
33 mol 289 unq 2 iso 0 dist 8.19213 8.85872 14.8829 9.44841 17.3697 7.58907 numMergedOcc 0
34 mol 289 unq 3 iso 0 dist 5.80664 8.85872 7.06855 9.44841 12.0454 7.58907 numMergedOcc 0
