0 mol 7 unq 0 iso 0 dist 9.85726 5.25379 6.7985 12.8174 5.38502 8.02892 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 6.89722 11.5412 9.24757 14.8437 9.19589 6.91141 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 7.26679 11.2253 9.24757 13.8682 9.19589 6.91141 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 4.98104 9.52463 6.95572 15.7233 11.8037 7.44343 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 9.59261 5.24592 5.78706 7.59354 6.83826 4.94406 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 9.59261 5.24592 5.78706 10.0393 9.30656 7.2337 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 6.67936 5.24592 5.59328 7.59354 9.94628 4.94406 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 6.67936 5.24592 5.59328 10.0393 5.39087 7.2337 numMergedOcc 0
8 mol 98 unq 4 iso 0 dist 8.25817 5.24592 7.5242 7.59354 7.53156 4.94406 numMergedOcc 0
9 mol 98 unq 5 iso 0 dist 8.25817 5.24592 7.5242 10.0393 12.2431 7.2337 numMergedOcc 0
10 mol 108 unq 0 iso 0 dist 7.29462 4.70778 9.01852 11.1589 12.692 8.06774 numMergedOcc 0
11 mol 108 unq 1 iso 0 dist 5.4057 6.76634 9.01852 13.0187 12.692 8.06774 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 6.49205 6.25204 8.00003 9.40633 6.83988 5.58734 numMergedOcc 0
13 mol 125 unq 0 iso 0 dist 8.84867 14.8614 9.3778 15.4084 9.19339 9.2657 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 8.54461 7.91054 8.78276 9.70695 6.33857 5.96506 numMergedOcc 0
15 mol 130 unq 1 iso 0 dist 7.83619 7.91054 7.96646 9.70695 5.15286 5.96506 numMergedOcc 0
16 mol 130 unq 2 iso 0 dist 9.91643 11.6197 7.96646 11.4978 5.15286 5.96506 numMergedOcc 0
17 mol 135 unq 0 iso 0 dist 6.5228 5.26692 7.90563 13.5035 12.3033 9.03598 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 8.81169 4.1075 6.30021 11.369 6.2089 7.70894 numMergedOcc 0
19 mol 196 unq 0 iso 0 dist 6.76923 9.91514 6.86319 19.1434 14.9157 9.47404 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 9.8711 4.39102 6.59716 12.8602 6.24624 9.05637 numMergedOcc 0
21 mol 226 unq 0 iso 0 dist 9.5723 7.93097 6.11704 13.042 6.92489 9.61639 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 9.17826 16.3489 7.43071 22.1037 14.5234 8.61546 numMergedOcc 0
23 mol 227 unq 1 iso 0 dist 9.64299 9.17153 6.02296 16.0543 13.552 8.61546 numMergedOcc 0
24 mol 235 unq 0 iso 0 dist 9.71281 6.18998 6.36341 9.96454 11.9319 6.86251 numMergedOcc 0
25 mol 248 unq 0 iso 0 dist 7.66519 5.81577 7.16525 9.39764 6.12544 8.53033 numMergedOcc 0
26 mol 249 unq 0 iso 0 dist 7.29898 10.4369 5.48118 14.8422 9.82483 4.68783 numMergedOcc 0
27 mol 249 unq 1 iso 0 dist 8.91685 13.4788 5.48118 18.1492 9.82483 4.68783 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 7.93997 10.9643 7.08526 18.6151 11.8501 9.69025 numMergedOcc 0
29 mol 265 unq 0 iso 0 dist 8.1498 7.43256 6.71375 11.8099 5.56416 7.49913 numMergedOcc 0
