0 mol 28 unq 0 iso 0 dist 6.62508 7.98722 7.2551 5.98169 11.4558 8.66738 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.77719 13.4678 7.2551 10.0347 11.4558 8.66738 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 9.16481 5.87258 7.29783 8.35776 5.33785 8.70331 numMergedOcc 0
3 mol 36 unq 0 iso 0 dist 7.01492 6.33881 7.7124 10.7719 6.49463 8.71538 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.31272 12.8112 7.78899 17.2264 10.6357 8.10222 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 5.65006 8.53213 6.97936 5.61831 3.35924 5.91098 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 5.65006 5.28721 5.00466 5.61831 3.35924 4.86523 numMergedOcc 0
7 mol 107 unq 0 iso 0 dist 8.2411 11.7698 9.68222 4.99934 5.88785 7.2168 numMergedOcc 0
8 mol 107 unq 1 iso 0 dist 8.76052 7.56069 8.28321 12.8579 8.55732 7.2168 numMergedOcc 0
9 mol 107 unq 2 iso 0 dist 8.76052 4.949 8.89853 11.293 5.41707 9.1849 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 9.77567 6.30491 9.17216 7.71959 5.12696 6.68265 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 9.77567 4.48776 9.40483 7.71959 5.12696 7.78842 numMergedOcc 0
12 mol 182 unq 0 iso 0 dist 6.39008 6.72963 5.61604 6.78641 3.53123 6.55146 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 6.20862 14.2932 8.94981 20.8425 16.3069 7.78392 numMergedOcc 0
14 mol 225 unq 1 iso 0 dist 7.27888 4.8373 8.94981 11.0711 16.3069 7.78392 numMergedOcc 0
15 mol 225 unq 2 iso 0 dist 9.0254 4.8373 5.90986 11.0711 12.113 7.78392 numMergedOcc 0
16 mol 225 unq 3 iso 0 dist 4.58113 5.61312 7.50697 6.15671 5.31124 7.78392 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 9.6486 6.25346 5.99355 13.8313 7.75074 8.99104 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 9.86407 5.96422 9.52528 12.8515 15.3449 8.99666 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 6.61768 5.66268 7.97711 7.36685 3.14784 6.83784 numMergedOcc 0
20 mol 266 unq 1 iso 0 dist 6.61768 5.66268 7.97711 9.03099 5.95721 6.38519 numMergedOcc 0
