0 mol 16 unq 0 iso 0 dist 9.56648 6.36377 5.35079 9.05346 5.1298 6.2983 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 7.85573 7.78905 6.07691 9.4798 11.6488 5.87283 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 9.52763 7.20538 7.91078 7.23914 4.86374 6.28202 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 5.70814 7.7978 6.34264 8.68726 9.54 6.7583 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 6.23298 9.46247 10.8254 5.70192 5.52457 10.331 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.06225 7.47794 5.31439 6.57826 7.43853 4.93067 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 9.47957 9.72689 9.78625 6.98838 5.71776 5.90098 numMergedOcc 0
7 mol 88 unq 1 iso 0 dist 9.4046 9.72689 12.4767 6.98838 6.64721 5.90098 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 5.43052 8.181 9.01856 9.29817 5.17209 8.79503 numMergedOcc 0
9 mol 155 unq 0 iso 0 dist 6.53806 6.7973 6.68061 9.89699 5.15684 10.2071 numMergedOcc 0
10 mol 155 unq 1 iso 0 dist 6.53806 6.7973 6.68061 9.16944 5.84938 4.9093 numMergedOcc 0
11 mol 155 unq 2 iso 0 dist 8.47335 6.7973 5.27475 9.89699 5.93897 10.2071 numMergedOcc 0
12 mol 155 unq 3 iso 0 dist 8.47335 6.7973 5.27475 9.16944 6.87053 4.9093 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 6.13872 9.58911 5.07895 8.45395 9.80135 10.5753 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 6.13872 9.58911 5.07895 5.41368 4.97806 5.88819 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 9.71223 8.96988 9.653 9.08641 14.6658 6.97485 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 9.86348 7.80299 5.85613 8.72538 8.96075 8.11419 numMergedOcc 0
17 mol 218 unq 0 iso 0 dist 6.2441 7.0843 9.92743 8.27907 11.0649 6.05563 numMergedOcc 0
18 mol 218 unq 1 iso 0 dist 6.2441 7.73315 12.0573 8.27907 11.0649 9.68444 numMergedOcc 0
19 mol 218 unq 2 iso 0 dist 6.2441 6.9398 8.31343 8.27907 11.0649 11.4148 numMergedOcc 0
20 mol 219 unq 0 iso 0 dist 9.52151 4.87446 10.9246 7.15624 10.277 4.52622 numMergedOcc 0
21 mol 219 unq 1 iso 0 dist 9.52151 7.49235 13.5876 7.15624 10.277 5.13707 numMergedOcc 0
22 mol 219 unq 2 iso 0 dist 8.62654 4.87446 10.1098 7.15624 10.2112 4.52622 numMergedOcc 0
23 mol 219 unq 3 iso 0 dist 8.62654 7.49235 5.49378 7.15624 10.2112 5.13707 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 6.14732 9.07872 13.552 8.82471 6.07589 16.8875 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 9.36753 7.86368 6.16697 7.24774 11.9454 7.50943 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 9.46728 8.59074 16.5687 9.46582 6.23871 13.7993 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 9.46728 8.59074 16.5687 9.77231 10.1372 13.069 numMergedOcc 0
28 mol 243 unq 0 iso 0 dist 8.28364 6.86162 5.75876 7.77265 6.88405 5.70464 numMergedOcc 0
29 mol 243 unq 1 iso 0 dist 8.28364 6.86162 5.75876 9.65322 12.946 7.83758 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 7.97113 9.12507 13.3027 8.46351 11.1732 5.32839 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 5.22111 9.12507 12.3218 8.46351 9.53336 5.32839 numMergedOcc 0
32 mol 274 unq 0 iso 0 dist 8.26851 6.55855 13.002 8.62431 4.05661 14.168 numMergedOcc 0
33 mol 274 unq 1 iso 0 dist 8.26851 9.52894 17.6855 8.62431 4.05661 17.7203 numMergedOcc 0
34 mol 274 unq 2 iso 0 dist 8.14634 6.55855 10.2307 8.62431 7.47324 14.168 numMergedOcc 0
35 mol 274 unq 3 iso 0 dist 8.14634 9.52894 16.0912 8.62431 7.47324 17.7203 numMergedOcc 0
