0 mol 7 unq 0 iso 0 dist 9.90117 6.22805 6.09254 6.96396 7.21217 7.10621 11.1727 5.07985 7.12508 6.1206 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.90117 6.22805 6.09254 6.96396 7.21217 7.10621 13.8869 6.83196 11.143 7.67927 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 7.88676 7.46752 6.53177 5.66097 5.84479 7.63133 12.8674 6.04677 9.81307 8.43054 numMergedOcc 0
3 mol 38 unq 0 iso 0 dist 5.86972 8.86547 10.4994 7.46414 9.23576 10.3882 4.74069 4.57886 6.10572 7.26639 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 8.24549 6.85677 5.19198 4.99061 6.49205 6.18601 10.7143 8.22696 4.39676 8.95212 numMergedOcc 0
5 mol 181 unq 0 iso 0 dist 6.47689 9.63295 5.16386 4.681 6.43406 9.11469 8.39573 5.71744 5.93724 5.05973 numMergedOcc 0
6 mol 214 unq 0 iso 0 dist 9.81136 8.47248 4.82712 17.404 8.49704 11.9355 10.1284 4.112 7.19184 7.46481 numMergedOcc 0
7 mol 224 unq 0 iso 0 dist 6.6537 7.04127 6.46679 4.55824 9.75313 6.61986 5.36326 3.56689 5.13732 8.08349 numMergedOcc 0
8 mol 224 unq 1 iso 0 dist 9.08719 7.04127 7.85135 4.55824 6.08709 6.61986 5.36326 11.4272 5.13732 8.08349 numMergedOcc 0
9 mol 236 unq 0 iso 0 dist 9.13126 6.73134 6.0258 5.52669 9.10613 8.04248 9.67162 4.8226 4.66414 8.23087 numMergedOcc 0
10 mol 238 unq 0 iso 0 dist 6.74214 8.89538 10.4952 6.3873 9.31417 10.3007 14.5078 13.338 18.4141 9.72188 numMergedOcc 0
11 mol 238 unq 1 iso 0 dist 6.74214 7.98022 6.62361 6.3873 9.31417 5.72887 14.5078 13.338 7.06793 9.72188 numMergedOcc 0
12 mol 238 unq 2 iso 0 dist 5.33462 8.89538 7.22173 6.3873 5.56719 10.3007 14.5078 12.046 18.4141 9.72188 numMergedOcc 0
13 mol 238 unq 3 iso 0 dist 5.33462 7.98022 5.96552 6.3873 5.56719 5.72887 14.5078 12.046 7.06793 9.72188 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 6.76656 6.96379 5.71237 10.908 6.77279 8.13497 15.148 9.90573 8.8603 9.07743 numMergedOcc 0
15 mol 259 unq 1 iso 0 dist 6.76656 6.96379 5.71237 12.7595 9.58006 7.88519 13.0667 12.7528 7.20604 9.63573 numMergedOcc 0
16 mol 259 unq 2 iso 0 dist 6.76656 6.96379 5.71237 12.7595 9.58006 7.88519 15.148 9.90573 8.8603 7.66153 numMergedOcc 0
17 mol 280 unq 0 iso 0 dist 7.3304 8.27417 4.95798 7.26698 8.85762 6.0664 11.3818 7.42656 4.90315 6.86234 numMergedOcc 0
