0 mol 8 unq 0 iso 0 dist 8.23769 7.70793 11.705 14.4127 17.5554 6.82379 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.23769 7.70793 11.705 12.428 16.3913 6.24978 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 8.23769 7.70793 11.705 14.2248 16.2553 9.66439 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 8.23769 7.70793 11.705 8.93161 8.33604 7.3915 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 5.99959 9.57633 10.8775 6.58144 7.58407 7.27383 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 9.01727 8.96048 10.2428 8.71142 14.448 7.12017 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.1716 7.83401 10.3549 6.89903 14.6013 8.56003 numMergedOcc 0
7 mol 140 unq 0 iso 0 dist 6.58792 9.62457 5.39245 8.3808 8.19104 5.39064 numMergedOcc 0
8 mol 148 unq 0 iso 0 dist 6.3102 9.14135 11.4939 9.14127 12.147 9.02318 numMergedOcc 0
9 mol 148 unq 1 iso 0 dist 6.3102 9.14135 11.4939 14.7238 16.6325 9.74542 numMergedOcc 0
10 mol 148 unq 2 iso 0 dist 6.3102 9.14135 11.4939 11.3515 16.1903 7.97543 numMergedOcc 0
11 mol 150 unq 0 iso 0 dist 6.25629 9.12067 11.3672 14.7649 16.5696 9.6606 numMergedOcc 0
12 mol 150 unq 1 iso 0 dist 6.25629 9.12067 11.3672 11.4349 16.1619 7.85526 numMergedOcc 0
13 mol 150 unq 2 iso 0 dist 6.25629 9.12067 11.3672 9.10666 12.1526 8.94552 numMergedOcc 0
14 mol 189 unq 0 iso 0 dist 7.17249 5.15305 4.34089 6.67182 6.50241 8.56355 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 5.35423 6.56609 4.05564 7.87106 6.95408 6.96521 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 9.76751 8.28297 10.3763 7.37147 9.59333 8.0144 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 9.76751 8.28297 10.3763 13.1366 17.5429 7.80841 numMergedOcc 0
18 mol 276 unq 0 iso 0 dist 7.3327 8.96556 5.86074 11.6308 9.38971 6.70215 numMergedOcc 0
19 mol 276 unq 1 iso 0 dist 7.3327 8.96556 5.86074 14.0743 12.4019 7.25423 numMergedOcc 0
20 mol 276 unq 2 iso 0 dist 7.3327 8.96556 5.86074 15.638 13.6336 7.88706 numMergedOcc 0
21 mol 276 unq 3 iso 0 dist 7.3327 8.96556 5.86074 4.73253 8.71541 7.23916 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 5.81774 9.99345 8.73481 14.8586 13.4799 7.91611 numMergedOcc 0
