0 mol 11 unq 0 iso 0 dist 6.35398 10.7048 9.81983 6.58046 6.51674 6.83186 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 9.39589 9.27289 8.72342 9.69346 3.59314 8.26091 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.4051 6.7846 7.85986 13.6588 9.63925 8.25818 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 7.29868 13.7992 7.85986 12.2872 9.63925 8.25818 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.60554 13.2846 7.85986 9.30028 9.63925 8.25818 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.82915 11.9949 8.04853 13.3547 5.22259 6.67137 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 9.82915 11.9949 8.04853 15.6221 7.66499 7.04244 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 5.9465 12.2908 6.89071 12.1221 9.18008 8.10623 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 6.97962 13.6054 6.89071 15.3733 9.18008 8.10623 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 9.95342 11.2746 6.89071 12.7611 9.18008 8.10623 numMergedOcc 0
10 mol 101 unq 0 iso 0 dist 6.98314 6.2696 9.44645 12.833 13.0976 8.19144 numMergedOcc 0
11 mol 101 unq 1 iso 0 dist 7.61685 10.1773 9.44645 17.2947 13.0976 8.19144 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 7.02927 4.56372 5.54226 10.2832 5.5693 9.51764 numMergedOcc 0
13 mol 109 unq 1 iso 0 dist 7.02927 4.56372 5.54226 8.11702 11.1265 9.29327 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 8.8822 15.3211 7.40338 15.0024 6.29259 5.31126 numMergedOcc 0
15 mol 113 unq 1 iso 0 dist 8.8822 15.3211 7.40338 15.7347 7.08122 7.16619 numMergedOcc 0
16 mol 113 unq 2 iso 0 dist 9.66219 13.0914 5.35711 7.02367 3.52111 7.02358 numMergedOcc 0
17 mol 113 unq 3 iso 0 dist 9.66219 15.3211 6.23759 15.0024 8.17309 5.31126 numMergedOcc 0
18 mol 113 unq 4 iso 0 dist 9.66219 15.3211 6.23759 15.7347 9.30967 7.16619 numMergedOcc 0
19 mol 117 unq 0 iso 0 dist 7.70232 4.46691 6.5788 7.78789 6.05048 9.02015 numMergedOcc 0
20 mol 117 unq 1 iso 0 dist 7.4671 4.46691 6.2771 7.78789 4.42665 9.02015 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 8.10291 8.76709 4.92382 10.8338 3.80087 4.88514 numMergedOcc 0
22 mol 141 unq 1 iso 0 dist 9.87644 6.80544 9.62774 9.3273 5.16197 5.60448 numMergedOcc 0
23 mol 168 unq 0 iso 0 dist 7.44629 12.7437 6.12453 15.6838 8.8681 5.86767 numMergedOcc 0
24 mol 168 unq 1 iso 0 dist 7.44629 12.7437 6.12453 11.0423 3.73181 5.28353 numMergedOcc 0
25 mol 194 unq 0 iso 0 dist 8.65535 12.8006 8.43182 9.52922 3.7326 5.10542 numMergedOcc 0
26 mol 194 unq 1 iso 0 dist 8.65535 12.8006 8.43182 11.7672 7.29209 4.68722 numMergedOcc 0
27 mol 198 unq 0 iso 0 dist 6.34616 4.27652 8.78623 8.08471 5.92533 7.38825 numMergedOcc 0
28 mol 206 unq 0 iso 0 dist 6.16414 4.46135 7.9416 4.51255 9.36584 6.80296 numMergedOcc 0
29 mol 206 unq 1 iso 0 dist 7.75885 3.56132 7.9416 6.23183 9.36584 6.80296 numMergedOcc 0
30 mol 213 unq 0 iso 0 dist 7.37798 4.71943 9.34602 10.5407 11.5458 7.93317 numMergedOcc 0
31 mol 213 unq 1 iso 0 dist 7.73322 4.67313 8.59946 8.82761 6.78109 9.71831 numMergedOcc 0
32 mol 213 unq 2 iso 0 dist 8.14332 7.49785 8.59946 4.66576 6.78109 9.71831 numMergedOcc 0
33 mol 284 unq 0 iso 0 dist 6.78191 12.4957 7.74874 10.0727 3.57807 5.6964 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 8.91712 13.2948 9.25759 10.1296 5.39801 4.68668 numMergedOcc 0
35 mol 287 unq 1 iso 0 dist 9.65934 3.65199 9.25759 5.30118 5.39801 4.68668 numMergedOcc 0
36 mol 288 unq 0 iso 0 dist 8.91712 13.2948 9.25759 10.1296 5.39801 4.68668 numMergedOcc 0
37 mol 288 unq 1 iso 0 dist 9.65934 3.65199 9.25759 5.30118 5.39801 4.68668 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 8.91712 13.2948 9.25759 10.1296 5.39801 4.68668 numMergedOcc 0
39 mol 289 unq 1 iso 0 dist 9.65934 3.65199 9.25759 5.30118 5.39801 4.68668 numMergedOcc 0
40 mol 292 unq 0 iso 0 dist 7.07965 7.22011 5.91617 4.49592 5.06937 8.07775 numMergedOcc 0
