0 mol 30 unq 0 iso 0 dist 9.50224 8.64725 7.47204 14.2581 10.6198 5.82247 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 9.50224 8.64725 7.47204 14.6843 14.2905 7.28907 numMergedOcc 0
2 mol 30 unq 2 iso 0 dist 9.50224 8.64725 7.47204 12.503 13.564 8.46289 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 5.12277 9.00169 5.85221 15.4294 13.1875 7.53297 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 5.12277 9.00169 5.85221 16.926 13.3254 9.79956 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 9.93577 6.17315 11.4628 7.28669 13.0323 7.63894 numMergedOcc 0
6 mol 90 unq 1 iso 0 dist 7.38568 7.63894 8.09188 7.28669 8.6767 6.17315 numMergedOcc 0
7 mol 90 unq 2 iso 0 dist 8.6767 6.17315 8.09188 7.28669 7.38568 7.63894 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 5.27541 4.78377 8.48621 10.1359 11.6467 9.92785 numMergedOcc 0
9 mol 108 unq 0 iso 0 dist 9.81705 9.98276 6.87606 9.54308 10.3972 6.72426 numMergedOcc 0
10 mol 108 unq 1 iso 0 dist 6.32309 9.98276 9.85061 9.54308 13.1299 6.72426 numMergedOcc 0
11 mol 108 unq 2 iso 0 dist 6.32309 8.02994 5.37005 4.32759 8.60437 9.22176 numMergedOcc 0
12 mol 108 unq 3 iso 0 dist 8.60437 9.98276 6.69989 9.54308 11.8354 6.72426 numMergedOcc 0
13 mol 108 unq 4 iso 0 dist 8.60437 9.22176 5.37005 4.32759 6.32309 8.02994 numMergedOcc 0
14 mol 108 unq 5 iso 0 dist 5.8711 6.72426 6.01373 9.54308 10.3141 9.98276 numMergedOcc 0
15 mol 183 unq 0 iso 0 dist 9.51356 7.48868 5.61285 6.06624 11.7314 6.79048 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 5.52744 9.67802 7.74227 14.2424 15.509 9.18314 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 6.23859 9.18314 10.2999 14.2424 12.4546 9.67802 numMergedOcc 0
18 mol 196 unq 0 iso 0 dist 9.5972 9.6115 14.0013 4.45328 5.6789 9.30663 numMergedOcc 0
19 mol 196 unq 1 iso 0 dist 5.6789 9.30663 14.0013 4.45328 9.5972 9.6115 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 9.06541 7.44979 6.7132 11.8841 10.8897 9.4236 numMergedOcc 0
21 mol 233 unq 0 iso 0 dist 6.28379 5.50668 6.20465 7.10921 9.29279 6.66157 numMergedOcc 0
22 mol 233 unq 1 iso 0 dist 9.29279 6.66157 6.20465 7.10921 6.28379 5.50668 numMergedOcc 0
23 mol 233 unq 2 iso 0 dist 8.91643 5.50668 5.90533 7.10921 8.79848 6.66157 numMergedOcc 0
24 mol 233 unq 3 iso 0 dist 8.79848 6.66157 5.90533 7.10921 8.91643 5.50668 numMergedOcc 0
25 mol 280 unq 0 iso 0 dist 9.69573 5.46263 13.2003 6.62546 6.42515 9.27455 numMergedOcc 0
26 mol 280 unq 1 iso 0 dist 6.42515 9.27455 13.2003 6.62546 9.69573 5.46263 numMergedOcc 0
27 mol 280 unq 2 iso 0 dist 9.8581 9.27455 18.4209 6.62546 15.5772 5.46263 numMergedOcc 0
