0 mol 61 unq 0 iso 0 dist 7.3754 9.95999 4.89683 5.91456 9.04549 8.80762 11.1898 10.665 9.91106 7.11706 numMergedOcc 0
1 mol 114 unq 0 iso 0 dist 9.15982 7.35639 14.849 11.2753 6.54778 18.0841 16.2604 8.36743 21.252 8.57909 numMergedOcc 0
2 mol 131 unq 0 iso 0 dist 6.53758 7.77243 5.77183 7.28525 6.08846 6.27699 5.23223 7.88461 5.65976 9.19171 numMergedOcc 0
3 mol 131 unq 1 iso 0 dist 5.23223 7.77243 5.65976 7.28525 9.19171 6.27699 6.53758 7.88461 5.77183 6.08846 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 4.46578 6.53862 8.13581 10.008 8.76088 16.1477 12.1805 9.34083 17.0217 5.79195 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 4.46578 6.53862 8.13581 10.008 8.76088 16.1477 13.3116 11.2107 17.8194 9.2759 numMergedOcc 0
6 mol 148 unq 0 iso 0 dist 5.86949 8.91834 11.7686 12.2411 9.18753 19.4707 15.8488 10.8037 19.8696 8.6953 numMergedOcc 0
7 mol 150 unq 0 iso 0 dist 5.84971 8.84061 11.6581 12.1573 9.15244 19.2686 15.8889 10.8647 19.8406 8.65967 numMergedOcc 0
8 mol 168 unq 0 iso 0 dist 9.58783 9.6856 17.0492 11.4343 9.11481 13.9008 11.2511 6.11195 15.1474 7.41092 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 5.2376 9.92349 7.38726 7.16053 6.80214 9.51136 12.476 12.1405 8.20682 8.57174 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 5.2376 9.70779 10.0087 7.16053 6.80214 15.4986 12.476 12.1405 17.4686 8.57174 numMergedOcc 0
11 mol 282 unq 0 iso 0 dist 6.15396 9.73723 8.67143 5.668 5.00258 8.99154 9.73435 4.79603 7.34724 6.04225 numMergedOcc 0
12 mol 282 unq 1 iso 0 dist 6.15396 9.73723 8.67143 5.668 5.00258 8.99154 9.18964 5.92133 14.573 8.22117 numMergedOcc 0
13 mol 282 unq 2 iso 0 dist 6.15396 9.73723 8.67143 8.54733 9.98886 17.4485 9.18964 5.92133 14.573 6.81887 numMergedOcc 0
14 mol 282 unq 3 iso 0 dist 9.18964 9.73723 14.573 5.668 8.22117 8.99154 9.73435 9.24679 7.34724 6.04225 numMergedOcc 0
15 mol 282 unq 4 iso 0 dist 9.18964 9.73723 14.573 5.668 8.22117 8.99154 6.15396 5.92133 8.67143 5.00258 numMergedOcc 0
16 mol 282 unq 5 iso 0 dist 9.18964 9.73723 14.573 8.54733 6.81887 17.4485 6.15396 5.92133 8.67143 9.98886 numMergedOcc 0
17 mol 293 unq 0 iso 0 dist 6.02106 8.84911 5.48105 6.26633 7.41524 10.2129 10.3468 8.71249 11.0721 4.72125 numMergedOcc 0
18 mol 293 unq 1 iso 0 dist 6.02106 8.84911 5.48105 6.26633 7.41524 10.2129 8.27274 5.34794 4.88851 6.42608 numMergedOcc 0
19 mol 293 unq 2 iso 0 dist 8.27274 8.84911 4.88851 6.26633 6.42608 10.2129 10.3468 6.3489 11.0721 4.72125 numMergedOcc 0
20 mol 293 unq 3 iso 0 dist 8.27274 8.84911 4.88851 6.26633 6.42608 10.2129 6.02106 5.34794 5.48105 7.41524 numMergedOcc 0
