0 mol 7 unq 0 iso 0 dist 7.15434 11.2706 7.10621 13.7477 10.515 9.36807 13.7354 10.5461 13.2247 6.36911 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 6.7212 11.6369 9.96708 11.9031 7.11552 6.77912 10.1721 10.8086 5.36766 8.624 numMergedOcc 0
2 mol 75 unq 0 iso 0 dist 8.2147 13.5815 7.79912 15.5568 10.0425 5.15851 13.5942 11.673 9.02771 6.33365 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 8.92577 12.0555 7.47343 18.5548 15.209 7.75343 13.0951 12.0662 5.88134 6.58204 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 9.56324 16.8752 7.47343 24.5025 15.209 7.75343 21.5364 12.0662 5.88134 6.58204 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 8.81172 5.34484 9.84395 11.3437 11.3679 6.62561 11.8951 16.5575 7.22206 7.63616 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 8.62648 4.6251 8.73993 12.5653 10.6679 9.63176 15.1267 16.7981 11.6667 7.39889 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 8.62648 4.6251 8.73993 12.5653 10.6679 9.63176 16.3727 12.6489 12.4603 7.44174 numMergedOcc 0
8 mol 126 unq 0 iso 0 dist 6.24392 5.50061 6.06638 10.8729 7.01257 7.75534 11.9085 12.1593 7.12167 9.06011 numMergedOcc 0
9 mol 142 unq 0 iso 0 dist 7.15087 8.68855 9.2313 9.15112 9.49653 7.15475 5.50176 5.31024 5.32922 9.07935 numMergedOcc 0
10 mol 142 unq 1 iso 0 dist 7.15087 5.50176 5.31024 9.15112 9.49653 9.07935 8.68855 9.2313 5.32922 7.15475 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 5.68636 7.92939 6.43582 16.0761 12.1814 9.14392 13.1804 10.2463 5.71071 7.16254 numMergedOcc 0
12 mol 155 unq 1 iso 0 dist 5.68636 7.92939 6.43582 10.6429 6.34186 7.51198 13.1804 10.2463 5.71071 9.86313 numMergedOcc 0
13 mol 224 unq 0 iso 0 dist 9.73411 14.1073 8.95269 14.0429 5.29877 6.67585 9.81806 6.57273 4.70378 6.65984 numMergedOcc 0
14 mol 224 unq 1 iso 0 dist 9.73411 9.81806 6.57273 14.0429 5.29877 6.65984 14.1073 8.95269 4.70378 6.67585 numMergedOcc 0
15 mol 224 unq 2 iso 0 dist 7.07564 11.8217 8.95269 10.7344 5.29877 6.67585 10.8463 6.57273 4.70378 6.65984 numMergedOcc 0
16 mol 224 unq 3 iso 0 dist 7.07564 10.8463 6.57273 10.7344 5.29877 6.65984 11.8217 8.95269 4.70378 6.67585 numMergedOcc 0
17 mol 276 unq 0 iso 0 dist 8.79189 6.33662 6.87396 13.3054 6.4102 8.76347 15.1869 12.3012 8.88126 9.38971 numMergedOcc 0
18 mol 276 unq 1 iso 0 dist 8.79189 6.33662 6.87396 13.3054 6.4102 8.76347 9.95881 10.1395 5.50479 8.71541 numMergedOcc 0
