0 mol 28 unq 0 iso 0 dist 6.62508 5.98169 11.4558 7.98722 7.2551 8.66738 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.77719 6.76158 16.4255 13.4678 7.2551 19.8512 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.77719 7.423 16.0765 13.4678 7.2551 19.7793 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 9.77719 5.89257 13.6412 13.4678 7.2551 18.1652 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 9.16481 8.35776 5.33785 5.87258 7.29783 8.70331 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 5.40287 8.96181 5.77163 6.94523 6.88243 12.5246 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 8.18866 6.0827 6.1737 11.7574 7.95291 12.4451 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 5.65006 5.61831 3.35924 7.2435 6.14248 9.0369 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 5.65006 5.61831 3.35924 8.53213 6.97936 5.91098 numMergedOcc 0
9 mol 76 unq 2 iso 0 dist 5.65006 5.61831 3.35924 5.28721 5.00466 4.86523 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 9.80945 9.73305 5.85766 9.15631 9.71315 14.0627 numMergedOcc 0
11 mol 88 unq 0 iso 0 dist 9.54537 8.57479 9.11654 17.974 9.76849 18.0285 numMergedOcc 0
12 mol 107 unq 0 iso 0 dist 8.2411 4.99934 5.88785 11.7698 9.68222 7.2168 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 9.77567 7.71959 5.12696 6.30491 9.17216 6.68265 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 9.77567 7.71959 5.12696 4.48776 9.40483 7.78842 numMergedOcc 0
15 mol 168 unq 0 iso 0 dist 8.65328 8.47439 10.919 10.9142 7.96541 13.9673 numMergedOcc 0
16 mol 182 unq 0 iso 0 dist 6.39008 6.78641 3.53123 6.72963 5.61604 6.55146 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 4.58113 6.15671 5.31124 5.61312 7.50697 7.78392 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 6.61768 6.9943 3.68488 5.66268 7.97711 10.3164 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 6.61768 7.36685 3.14784 5.66268 7.97711 6.83784 numMergedOcc 0
20 mol 266 unq 2 iso 0 dist 6.61768 9.03099 5.95721 5.66268 7.97711 6.38519 numMergedOcc 0
21 mol 283 unq 0 iso 0 dist 5.31969 7.58381 3.34167 6.05787 9.83098 12.8591 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 8.51266 7.61675 12.6536 10.5065 9.24101 17.2724 numMergedOcc 0
