0 mol 10 unq 0 iso 0 dist 8.03458 6.61479 9.88507 9.03951 11.04 5.59965 12.037 9.00506 7.8329 9.76721 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 9.05123 11.9755 8.3794 10.8743 7.49229 6.03257 15.0497 10.0572 6.31608 11.6414 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.40644 11.0398 7.66163 18.3273 11.2238 8.29857 14.5028 6.64874 6.28603 6.17529 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 9.40644 11.0398 7.66163 18.3273 11.2238 8.29857 14.0354 5.68077 8.80303 9.78584 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 9.40644 11.0398 7.66163 18.3273 11.2238 8.29857 7.99434 3.85292 7.11491 11.505 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 5.35252 11.0398 9.48288 18.3273 15.6905 8.29857 14.5028 10.6872 6.28603 6.17529 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 5.35252 11.0398 9.48288 18.3273 15.6905 8.29857 14.0354 9.24728 8.80303 9.78584 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 5.35252 11.0398 9.48288 18.3273 15.6905 8.29857 7.99434 6.44604 7.11491 11.505 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 5.06188 11.0408 9.16212 18.3262 15.6648 8.19993 14.2863 10.5404 5.73454 6.30002 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 5.06188 11.0408 9.16212 18.3262 15.6648 8.19993 13.9526 9.35478 8.2012 9.72383 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 5.06188 11.0408 9.16212 18.3262 15.6648 8.19993 8.10222 6.4561 7.1829 11.5388 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 8.61089 5.37898 5.33546 15.1365 9.40625 9.78384 11.6139 4.13187 6.86517 5.84075 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 8.64686 8.69896 5.33546 9.21479 9.40625 9.78384 6.65972 4.13187 6.86517 5.84075 numMergedOcc 0
13 mol 116 unq 0 iso 0 dist 6.53824 10.4136 8.3971 9.2638 10.5909 8.38606 11.3496 10.2914 8.58308 4.13755 numMergedOcc 0
14 mol 116 unq 1 iso 0 dist 6.61973 10.4136 6.74026 9.2638 6.2875 8.38606 11.3496 5.94177 8.58308 4.13755 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 9.52061 5.9261 6.52844 7.32407 7.72162 9.73158 11.0632 4.39633 8.98175 9.06432 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 9.52061 5.9261 6.52844 6.48695 7.95267 7.59327 11.0632 4.39633 8.98175 11.2951 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 7.91838 6.10456 4.65126 10.977 4.78938 6.21159 10.3004 3.87593 5.25762 5.39534 numMergedOcc 0
18 mol 249 unq 0 iso 0 dist 8.00386 11.2425 9.58168 14.5069 9.38829 5.9627 6.62413 5.33399 8.76518 11.2713 numMergedOcc 0
19 mol 250 unq 0 iso 0 dist 7.89067 4.45246 5.92578 13.5956 8.13148 9.70149 13.3025 7.35853 9.25035 4.14699 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 9.0836 8.25534 9.34312 15.0873 14.8724 7.00243 14.2079 16.7215 7.63543 4.72338 numMergedOcc 0
21 mol 273 unq 0 iso 0 dist 5.78262 7.10817 9.16554 12.7295 11.4694 7.16346 13.5584 12.6217 9.81919 9.84575 numMergedOcc 0
