0 mol 19 unq 0 iso 0 dist 5.36258 5.96899 4.33223 6.1852 9.04865 8.92491 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 7.33936 8.70331 4.84198 9.21854 8.34024 13.0026 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 8.10708 8.185 7.57153 12.9966 5.45575 11.3665 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 9.20253 6.68153 7.57153 12.0354 5.45575 11.3665 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.84839 8.08224 13.0214 12.433 7.1249 16.7981 numMergedOcc 0
5 mol 217 unq 0 iso 0 dist 5.60554 7.94351 4.23392 5.07696 6.97993 10.828 numMergedOcc 0
6 mol 217 unq 1 iso 0 dist 5.60554 7.94351 4.23392 10.7616 9.91633 14.0584 numMergedOcc 0
7 mol 228 unq 0 iso 0 dist 8.10816 6.9196 3.65229 6.74578 9.58356 10.607 numMergedOcc 0
8 mol 228 unq 1 iso 0 dist 7.95486 6.72203 3.62742 6.68691 9.29522 10.223 numMergedOcc 0
9 mol 239 unq 0 iso 0 dist 4.57548 7.24545 9.32521 6.54029 5.73804 10.6088 numMergedOcc 0
10 mol 254 unq 0 iso 0 dist 8.5372 9.84028 6.19835 9.73538 9.89583 10.3976 numMergedOcc 0
11 mol 260 unq 0 iso 0 dist 7.58405 6.90472 6.03233 11.3349 7.469 13.0617 numMergedOcc 0
12 mol 273 unq 0 iso 0 dist 6.59786 8.13393 3.40141 10.41 8.41674 11.7527 numMergedOcc 0
13 mol 273 unq 1 iso 0 dist 6.59786 8.13393 3.40141 4.62586 6.8391 9.72798 numMergedOcc 0
14 mol 273 unq 2 iso 0 dist 7.96519 8.13393 9.36978 4.62586 6.06557 9.72798 numMergedOcc 0
15 mol 293 unq 0 iso 0 dist 7.2668 7.15948 10.547 8.09709 7.59622 14.7848 numMergedOcc 0
