0 mol 10 unq 0 iso 0 dist 9.96463 15.2778 9.99109 10.8571 6.59748 7.79519 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 8.71103 6.05149 7.41952 9.25766 5.65368 4.52157 numMergedOcc 0
2 mol 103 unq 0 iso 0 dist 8.9889 10.1806 7.57822 14.5591 8.47667 5.24823 numMergedOcc 0
3 mol 103 unq 1 iso 0 dist 6.67575 4.36597 7.57822 6.36357 8.47667 5.24823 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 6.85651 8.75242 9.07294 12.0028 13.4864 7.74278 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 6.85651 8.75242 9.07294 13.3199 16.2835 8.54607 numMergedOcc 0
6 mol 133 unq 2 iso 0 dist 7.03858 6.45333 9.07294 13.7225 13.4864 7.74278 numMergedOcc 0
7 mol 133 unq 3 iso 0 dist 7.03858 6.45333 9.07294 14.297 16.2835 8.54607 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 4.96259 5.53632 8.78709 8.8886 6.36904 9.72342 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 9.89709 12.6035 7.02662 10.5988 9.21526 5.65146 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 9.12583 10.2313 9.94142 10.2454 8.42816 7.87204 numMergedOcc 0
11 mol 192 unq 0 iso 0 dist 7.252 13.2525 7.30965 16.7058 9.583 8.40971 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 7.19213 5.55359 7.00683 10.2115 14.0964 9.38418 numMergedOcc 0
13 mol 204 unq 1 iso 0 dist 5.67196 4.72843 7.00683 12.658 14.0964 9.38418 numMergedOcc 0
14 mol 211 unq 0 iso 0 dist 7.38723 12.6613 9.8921 11.9707 5.63202 6.70983 numMergedOcc 0
15 mol 217 unq 0 iso 0 dist 8.79299 4.10975 6.01666 13.6528 6.28311 9.94746 numMergedOcc 0
16 mol 219 unq 0 iso 0 dist 9.52151 7.00921 4.67452 13.7025 4.86182 9.48678 numMergedOcc 0
17 mol 230 unq 0 iso 0 dist 8.74076 5.06139 6.23346 12.037 4.32804 9.26431 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 7.97113 6.92619 8.91916 12.8274 13.2664 8.06955 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 5.22111 6.92619 4.55368 12.8274 9.68677 8.06955 numMergedOcc 0
20 mol 259 unq 2 iso 0 dist 8.38479 11.3266 8.91916 17.5929 13.2664 8.06955 numMergedOcc 0
21 mol 259 unq 3 iso 0 dist 8.53598 11.3266 4.55368 17.5929 9.68677 8.06955 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 9.33447 7.61055 5.28417 9.36806 5.69904 8.48012 numMergedOcc 0
23 mol 266 unq 1 iso 0 dist 3.90274 5.01049 5.28417 7.51446 5.69904 8.48012 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 4.75866 12.8228 9.98985 9.5717 9.69939 7.06381 numMergedOcc 0
25 mol 279 unq 1 iso 0 dist 7.87072 8.51381 9.98985 8.299 9.69939 7.06381 numMergedOcc 0
26 mol 283 unq 0 iso 0 dist 7.90132 5.37953 7.53773 9.52933 8.99445 8.76844 numMergedOcc 0
