0 mol 30 unq 0 iso 0 dist 6.88974 5.14358 6.54878 7.5925 5.5814 9.83737 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 6.88974 7.3557 5.53425 7.5925 5.5814 8.98564 numMergedOcc 0
2 mol 30 unq 2 iso 0 dist 5.5814 8.98564 5.53425 7.5925 6.88974 7.3557 numMergedOcc 0
3 mol 30 unq 3 iso 0 dist 5.5814 7.51725 4.20285 7.5925 6.88974 10.5434 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 9.96265 7.61923 6.16718 5.12876 9.70459 5.11941 numMergedOcc 0
5 mol 44 unq 1 iso 0 dist 9.96265 7.61923 6.16718 6.85995 7.78905 5.84744 numMergedOcc 0
6 mol 44 unq 2 iso 0 dist 9.96265 7.61923 6.16718 11.3037 9.44909 11.0139 numMergedOcc 0
7 mol 44 unq 3 iso 0 dist 9.70459 5.11941 6.16718 5.12876 9.96265 7.61923 numMergedOcc 0
8 mol 44 unq 4 iso 0 dist 9.70459 5.11941 6.16718 4.19085 7.78905 5.84744 numMergedOcc 0
9 mol 44 unq 5 iso 0 dist 9.70459 5.11941 6.16718 10.2017 9.44909 11.0139 numMergedOcc 0
10 mol 44 unq 6 iso 0 dist 7.78905 5.84744 6.16718 6.85995 9.96265 7.61923 numMergedOcc 0
11 mol 44 unq 7 iso 0 dist 7.78905 5.84744 6.16718 4.19085 9.70459 5.11941 numMergedOcc 0
12 mol 44 unq 8 iso 0 dist 7.78905 5.84744 6.16718 6.10468 9.44909 11.0139 numMergedOcc 0
13 mol 71 unq 0 iso 0 dist 9.50139 9.47964 11.9362 10.3874 7.35142 15.9778 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 8.67532 9.762 5.9144 11.1443 8.06168 13.7119 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 5.9747 8.3505 3.9764 4.24815 4.50572 8.32269 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 5.9747 7.34638 7.03983 4.24815 4.50572 6.0995 numMergedOcc 0
17 mol 98 unq 2 iso 0 dist 4.50572 6.0995 7.03983 4.24815 5.9747 7.34638 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 4.50572 9.25525 13.1657 4.24815 5.9747 11.7338 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 7.95871 9.79864 9.62029 5.11161 4.98864 11.2359 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 9.80286 9.79864 4.81028 6.56935 6.48328 8.80968 numMergedOcc 0
21 mol 115 unq 2 iso 0 dist 6.48328 8.42219 8.14031 6.56935 9.80286 9.29473 numMergedOcc 0
22 mol 117 unq 0 iso 0 dist 6.90827 6.78655 3.55765 5.70541 8.90977 9.42037 numMergedOcc 0
23 mol 117 unq 1 iso 0 dist 8.90977 9.42037 3.55765 5.70541 6.90827 6.78655 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 9.55556 8.78303 7.41373 6.22325 9.92932 12.3555 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 6.752 6.41148 8.67921 4.20051 5.4913 5.06713 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 5.4913 5.06713 8.67921 4.20051 6.752 6.41148 numMergedOcc 0
27 mol 205 unq 2 iso 0 dist 5.4913 8.69512 12.8695 4.20051 6.752 12.239 numMergedOcc 0
28 mol 212 unq 0 iso 0 dist 5.87223 5.03184 3.9436 9.449 8.062 11.3822 numMergedOcc 0
29 mol 212 unq 1 iso 0 dist 5.87223 5.03184 3.9436 5.23375 8.70011 9.54676 numMergedOcc 0
30 mol 225 unq 0 iso 0 dist 9.86371 9.31012 6.46884 3.3846 9.13552 10.7225 numMergedOcc 0
31 mol 236 unq 0 iso 0 dist 6.11137 9.94117 10.5937 5.26871 5.66569 13.0312 numMergedOcc 0
32 mol 236 unq 1 iso 0 dist 7.89744 9.94117 14.162 8.96137 8.6417 17.7163 numMergedOcc 0
33 mol 237 unq 0 iso 0 dist 9.42743 9.58403 11.815 15.4427 8.56463 18.3079 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 9.94315 7.13727 7.06793 5.00891 8.59074 8.56975 numMergedOcc 0
35 mol 238 unq 1 iso 0 dist 9.94315 7.13727 7.06793 10.4116 6.2365 10.5721 numMergedOcc 0
36 mol 238 unq 2 iso 0 dist 8.59074 8.56975 7.06793 5.00891 9.94315 7.13727 numMergedOcc 0
37 mol 238 unq 3 iso 0 dist 8.59074 8.56975 7.06793 6.21773 6.2365 10.5721 numMergedOcc 0
38 mol 238 unq 4 iso 0 dist 9.66555 6.96382 6.82305 5.15729 8.67205 8.6732 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 5.75596 9.7061 5.50627 13.4368 9.6898 12.5194 numMergedOcc 0
