0 mol 15 unq 0 iso 0 dist 9.70735 4.90888 6.82505 9.5538 7.12903 5.51916 13.8949 5.55659 9.78051 8.96967 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.51406 6.4487 8.34347 9.20028 9.16962 11.887 10.3478 7.23546 6.73162 15.0652 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 6.68311 15.0607 9.96708 13.1473 6.77912 7.11552 14.0266 9.0131 7.321 9.19459 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 6.7212 11.6369 9.96708 5.00053 7.321 9.0131 11.9031 7.11552 6.77912 9.19459 numMergedOcc 0
4 mol 72 unq 2 iso 0 dist 6.7212 6.12361 9.78528 5.00053 7.321 6.11922 10.8529 11.6894 9.02278 13.4823 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 8.92577 12.0555 7.47343 7.38658 8.72704 10.1589 18.5548 15.209 7.75343 16.0363 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 9.56324 16.8752 7.47343 15.7025 8.72704 10.1589 24.5025 15.209 7.75343 16.0363 numMergedOcc 0
7 mol 100 unq 2 iso 0 dist 5.70279 5.92158 7.47343 11.8754 7.75343 15.209 12.237 10.1589 8.72704 16.0363 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 7.266 9.66954 6.09023 15.3564 10.7942 7.76729 12.4065 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 8.97043 11.8721 9.33865 11.6637 7.64585 10.2377 15.3564 10.7942 7.76729 6.40036 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 8.97043 5.19652 6.11741 7.266 9.66954 4.61908 8.77794 10.8292 6.99777 9.9411 numMergedOcc 0
11 mol 115 unq 3 iso 0 dist 8.97043 5.19652 6.11741 7.266 9.66954 4.61908 13.7249 6.12943 9.14376 11.764 numMergedOcc 0
12 mol 115 unq 4 iso 0 dist 8.97043 5.19652 6.11741 11.6637 7.64585 10.8939 8.77794 10.8292 6.99777 17.3282 numMergedOcc 0
13 mol 115 unq 5 iso 0 dist 8.97043 5.19652 6.11741 11.6637 7.64585 10.8939 13.7249 6.12943 9.14376 12.1188 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 5.68636 7.92939 6.43582 7.441 9.38946 12.8482 16.0761 12.1814 9.14392 18.2998 numMergedOcc 0
15 mol 155 unq 1 iso 0 dist 5.68636 7.92939 6.43582 7.441 9.38946 12.8482 10.6429 6.34186 7.51198 11.3251 numMergedOcc 0
16 mol 155 unq 2 iso 0 dist 5.68636 7.92939 6.43582 6.79302 7.36102 8.27726 16.0761 12.1814 9.14392 13.2154 numMergedOcc 0
17 mol 155 unq 3 iso 0 dist 5.68636 7.92939 6.43582 6.79302 7.36102 8.27726 10.6429 6.34186 7.51198 7.37901 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 9.19499 5.66289 7.44554 11.9162 9.36805 6.29785 9.40225 7.29758 6.27641 6.90155 numMergedOcc 0
19 mol 156 unq 1 iso 0 dist 7.98018 4.68187 9.83699 4.71629 7.55203 6.29785 4.94012 4.53931 6.27641 6.90155 numMergedOcc 0
20 mol 209 unq 0 iso 0 dist 6.14896 9.80484 7.56373 4.86181 7.95911 7.19056 11.2201 6.43758 9.52027 11.5217 numMergedOcc 0
21 mol 209 unq 1 iso 0 dist 9.12289 11.2544 7.56373 7.37293 7.95911 7.19056 15.2207 6.43758 9.52027 11.5217 numMergedOcc 0
22 mol 224 unq 0 iso 0 dist 9.73411 14.1073 8.95269 9.9234 6.87664 7.98696 17.4905 9.36098 7.06793 8.89778 numMergedOcc 0
23 mol 224 unq 1 iso 0 dist 9.73411 14.1073 8.95269 9.9234 6.87664 7.98696 14.0429 5.29877 6.67585 9.47554 numMergedOcc 0
24 mol 224 unq 2 iso 0 dist 9.73411 9.81806 6.57273 9.9234 6.87664 7.12232 14.0429 5.29877 6.65984 9.47554 numMergedOcc 0
25 mol 224 unq 3 iso 0 dist 7.07564 11.8217 8.95269 4.92261 6.87664 7.98696 9.97425 9.36098 7.06793 8.89778 numMergedOcc 0
26 mol 224 unq 4 iso 0 dist 7.07564 11.8217 8.95269 4.92261 6.87664 7.98696 10.7344 5.29877 6.67585 9.47554 numMergedOcc 0
27 mol 224 unq 5 iso 0 dist 7.07564 10.8463 6.57273 4.92261 6.87664 7.12232 10.7344 5.29877 6.65984 9.47554 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 6.06422 5.33697 6.57393 5.58989 5.38637 6.20606 12.075 10.9761 6.91569 11.9092 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 8.57619 5.43184 5.30224 5.4536 8.37865 5.31048 11.4829 4.99891 6.77938 11.4462 numMergedOcc 0
30 mol 259 unq 1 iso 0 dist 8.57619 5.43184 5.30224 5.4536 8.37865 5.31048 12.2858 5.32839 7.76676 9.64797 numMergedOcc 0
