0 mol 0 unq 0 iso 0 dist 6.94181 5.47921 7.15528 10.961 10.4498 9.23213 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.94181 5.47921 7.15528 11.2375 5.52201 8.81979 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 7.15434 11.2706 7.10621 16.3188 10.789 7.31201 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 7.15434 11.2706 7.10621 13.7477 10.515 9.36807 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 9.70735 4.90888 6.82505 13.8949 5.55659 9.78051 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 7.51406 6.4487 8.34347 10.3478 7.23546 6.73162 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 9.17086 5.90113 8.80331 14.2386 10.4442 9.83618 numMergedOcc 0
7 mol 52 unq 0 iso 0 dist 7.70026 13.9113 7.34143 11.7979 4.5482 7.18176 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 6.54183 5.65405 8.10861 8.41365 10.1332 5.02241 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 6.68311 15.0607 9.96708 14.0266 9.0131 7.321 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 6.7212 11.6369 9.96708 11.9031 7.11552 6.77912 numMergedOcc 0
11 mol 72 unq 2 iso 0 dist 6.7212 6.12361 9.78528 10.8529 11.6894 9.02278 numMergedOcc 0
12 mol 75 unq 0 iso 0 dist 8.2147 13.5815 7.79912 15.5568 10.0425 5.15851 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 8.92577 12.0555 7.47343 18.5548 15.209 7.75343 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 9.56324 16.8752 7.47343 24.5025 15.209 7.75343 numMergedOcc 0
15 mol 100 unq 2 iso 0 dist 8.96916 5.92158 6.45675 12.237 7.2495 8.72704 numMergedOcc 0
16 mol 100 unq 3 iso 0 dist 5.70279 5.92158 7.47343 12.237 10.1589 8.72704 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 15.3564 10.7942 7.76729 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 8.97043 5.19652 6.11741 8.77794 10.8292 6.99777 numMergedOcc 0
19 mol 115 unq 2 iso 0 dist 8.97043 5.19652 6.11741 13.7249 6.12943 9.14376 numMergedOcc 0
20 mol 117 unq 0 iso 0 dist 8.81172 5.34484 9.84395 11.3437 11.3679 6.62561 numMergedOcc 0
21 mol 119 unq 0 iso 0 dist 8.62648 4.6251 8.73993 12.5653 10.6679 9.63176 numMergedOcc 0
22 mol 126 unq 0 iso 0 dist 6.24392 5.50061 6.06638 10.8729 7.01257 7.75534 numMergedOcc 0
23 mol 142 unq 0 iso 0 dist 7.15087 8.68855 9.2313 9.15112 9.49653 7.15475 numMergedOcc 0
24 mol 142 unq 1 iso 0 dist 7.15087 5.50176 5.31024 9.15112 9.49653 9.07935 numMergedOcc 0
25 mol 155 unq 0 iso 0 dist 5.68636 7.92939 6.43582 16.0761 12.1814 9.14392 numMergedOcc 0
26 mol 155 unq 1 iso 0 dist 5.68636 7.92939 6.43582 10.6429 6.34186 7.51198 numMergedOcc 0
27 mol 156 unq 0 iso 0 dist 9.19499 5.66289 7.44554 9.40225 7.29758 6.27641 numMergedOcc 0
28 mol 156 unq 1 iso 0 dist 7.11647 5.66289 8.94056 9.40225 8.67156 6.27641 numMergedOcc 0
29 mol 156 unq 2 iso 0 dist 7.98018 4.68187 9.83699 4.94012 4.53931 6.27641 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 9.30874 6.25083 6.94688 numMergedOcc 0
31 mol 181 unq 1 iso 0 dist 8.90247 5.114 9.1374 5.54873 4.77278 6.71012 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 6.15806 10.6362 7.26832 7.70781 6.23291 9.19704 numMergedOcc 0
33 mol 209 unq 0 iso 0 dist 6.14896 9.80484 7.56373 11.2201 6.43758 9.52027 numMergedOcc 0
34 mol 209 unq 1 iso 0 dist 9.12289 11.2544 7.56373 15.2207 6.43758 9.52027 numMergedOcc 0
35 mol 224 unq 0 iso 0 dist 9.73411 14.1073 8.95269 17.4905 9.36098 7.06793 numMergedOcc 0
36 mol 224 unq 1 iso 0 dist 9.73411 14.1073 8.95269 14.0429 5.29877 6.67585 numMergedOcc 0
37 mol 224 unq 2 iso 0 dist 9.73411 9.81806 6.57273 14.0429 5.29877 6.65984 numMergedOcc 0
38 mol 224 unq 3 iso 0 dist 7.07564 11.8217 8.95269 9.97425 9.36098 7.06793 numMergedOcc 0
39 mol 224 unq 4 iso 0 dist 7.07564 11.8217 8.95269 10.7344 5.29877 6.67585 numMergedOcc 0
40 mol 224 unq 5 iso 0 dist 7.07564 10.8463 6.57273 10.7344 5.29877 6.65984 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 6.06422 5.33697 6.57393 12.075 10.9761 6.91569 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 8.57619 5.43184 5.30224 11.4829 4.99891 6.77938 numMergedOcc 0
43 mol 259 unq 1 iso 0 dist 8.57619 5.43184 5.30224 12.2858 5.32839 7.76676 numMergedOcc 0
44 mol 276 unq 0 iso 0 dist 8.79189 6.33662 6.87396 13.3054 6.4102 8.76347 numMergedOcc 0
45 mol 294 unq 0 iso 0 dist 5.18789 5.57044 8.15665 9.17225 6.17102 9.03492 numMergedOcc 0
