0 mol 1 unq 0 iso 0 dist 9.72447 15.3182 6.06669 4.67062 8.69605 13.5153 numMergedOcc 0
1 mol 63 unq 0 iso 0 dist 6.57773 8.11469 7.14979 4.24825 7.44913 5.15367 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 9.10105 5.10976 6.57749 8.81994 6.12267 9.09097 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 9.10105 5.10976 6.57749 4.89257 8.43162 7.29064 numMergedOcc 0
4 mol 96 unq 0 iso 0 dist 8.92981 5.23728 9.21945 8.82781 8.9056 7.97622 numMergedOcc 0
5 mol 96 unq 1 iso 0 dist 8.92981 7.21756 5.5851 8.82781 8.9056 9.81613 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 7.53333 13.6835 9.98108 5.2815 6.90966 8.77277 numMergedOcc 0
7 mol 122 unq 0 iso 0 dist 8.50192 10.708 6.78551 4.89754 8.9864 11.7558 numMergedOcc 0
8 mol 132 unq 0 iso 0 dist 8.97036 10.6251 9.10144 12.389 6.94745 5.36829 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 6.17633 6.35578 5.86949 8.47619 9.18753 12.2411 numMergedOcc 0
10 mol 148 unq 1 iso 0 dist 6.17633 9.28852 6.72591 8.47619 9.18753 6.76353 numMergedOcc 0
11 mol 148 unq 2 iso 0 dist 9.32264 6.16086 5.86949 12.407 9.18753 12.2411 numMergedOcc 0
12 mol 148 unq 3 iso 0 dist 9.32264 12.2447 6.72591 12.407 9.18753 6.76353 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 6.20295 6.38431 5.84971 8.33704 9.15244 12.1573 numMergedOcc 0
14 mol 150 unq 1 iso 0 dist 6.20295 9.28339 6.80192 8.33704 9.15244 6.65519 numMergedOcc 0
15 mol 150 unq 2 iso 0 dist 9.34249 6.11114 5.84971 12.3632 9.15244 12.1573 numMergedOcc 0
16 mol 150 unq 3 iso 0 dist 9.34249 12.2778 6.80192 12.3632 9.15244 6.65519 numMergedOcc 0
17 mol 160 unq 0 iso 0 dist 8.83016 5.48551 5.13415 9.6475 8.1876 4.95728 numMergedOcc 0
18 mol 189 unq 0 iso 0 dist 8.51507 8.08721 9.71306 6.00118 9.95686 7.19635 numMergedOcc 0
19 mol 189 unq 1 iso 0 dist 8.51507 8.08721 9.71306 5.48787 9.47321 8.18227 numMergedOcc 0
20 mol 198 unq 0 iso 0 dist 8.35833 7.7802 8.74957 11.9993 9.87574 4.61344 numMergedOcc 0
21 mol 198 unq 1 iso 0 dist 8.35833 14.3237 7.91967 11.9993 9.87574 9.72265 numMergedOcc 0
22 mol 198 unq 2 iso 0 dist 8.35833 10.1086 7.83611 11.9993 9.87574 17.1351 numMergedOcc 0
23 mol 204 unq 0 iso 0 dist 9.12896 6.34282 4.90334 13.4281 9.52029 7.84606 numMergedOcc 0
24 mol 204 unq 1 iso 0 dist 8.63667 4.34433 4.90334 9.86864 9.52029 7.84606 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 7.7874 14.8232 9.66533 5.43552 4.36421 13.587 numMergedOcc 0
26 mol 245 unq 0 iso 0 dist 5.70624 8.55335 7.1207 4.95438 9.96585 9.95653 numMergedOcc 0
27 mol 245 unq 1 iso 0 dist 5.70624 8.55335 7.1207 5.42329 7.27022 5.00797 numMergedOcc 0
28 mol 245 unq 2 iso 0 dist 5.70624 8.55335 7.1207 12.1537 7.95061 7.10254 numMergedOcc 0
