0 mol 0 unq 0 iso 0 dist 9.94618 9.16606 11.4815 6.94181 14.0556 5.85361 5.47921 15.3785 11.788 7.15528 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.58865 8.40995 5.42241 7.32392 8.54694 4.77411 15.5277 13.7966 12.4562 9.60499 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 6.0323 8.05125 5.96526 7.15434 5.70161 9.17482 11.2706 12.2471 15.9303 7.10621 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 7.53564 7.62469 6.44784 9.17086 10.323 5.39546 5.90113 9.74445 10.0804 8.80331 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.10175 6.29755 12.1689 6.54183 10.1356 5.58127 5.65405 5.59773 9.89662 8.10861 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 6.10175 7.4038 11.8364 6.54183 10.1356 5.54544 5.65405 5.59773 11.7963 8.10861 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 7.02351 6.7939 5.4653 8.16299 11.2674 7.80518 10.3774 7.26679 7.23812 8.70481 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 7.02351 6.85356 4.63063 8.16299 11.2674 11.6012 10.3774 7.26679 10.396 8.70481 numMergedOcc 0
8 mol 125 unq 0 iso 0 dist 9.64304 8.48363 4.77979 6.03557 9.19339 6.10523 5.14495 14.6763 12.6769 8.62381 numMergedOcc 0
9 mol 126 unq 0 iso 0 dist 9.40608 9.63161 5.18899 6.24392 7.01529 4.7848 5.50061 9.54928 10.2273 6.06638 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 7.8034 9.14809 9.45822 9.33945 8.25445 14.651 12.3624 11.439 19.6719 8.40312 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 7.8034 6.45169 10.1774 9.33945 8.25445 7.47571 12.3624 11.439 14.1255 8.40312 numMergedOcc 0
12 mol 142 unq 0 iso 0 dist 9.5355 7.21779 7.46089 7.15087 13.1936 9.15453 8.68855 7.57458 10.1001 9.2313 numMergedOcc 0
13 mol 142 unq 1 iso 0 dist 9.5355 7.21779 7.46089 7.15087 13.1936 9.15453 5.50176 10.5524 9.78089 5.31024 numMergedOcc 0
14 mol 209 unq 0 iso 0 dist 8.65539 6.74526 6.04843 6.14896 7.49966 7.34962 9.80484 14.3923 14.282 7.56373 numMergedOcc 0
15 mol 209 unq 1 iso 0 dist 8.65539 8.12326 10.2501 6.14896 7.49966 7.61997 9.80484 14.3923 13.2724 7.56373 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 7.10689 7.99609 9.50337 8.7419 8.81265 4.81992 5.01062 8.7347 7.73634 6.00706 numMergedOcc 0
17 mol 222 unq 1 iso 0 dist 7.10689 7.99609 9.50337 8.5834 4.28891 9.69122 5.01062 8.7347 7.73634 7.54212 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 8.68767 8.18749 4.42976 9.73411 14.3302 11.2298 14.1073 20.6047 18.8009 8.95269 numMergedOcc 0
19 mol 224 unq 1 iso 0 dist 8.68767 8.18749 4.42976 9.73411 14.3302 11.2298 9.81806 15.9877 14.526 6.57273 numMergedOcc 0
20 mol 224 unq 2 iso 0 dist 8.68767 8.18749 4.42976 9.73411 14.3302 11.2298 5.99647 12.7282 10.0508 5.78342 numMergedOcc 0
21 mol 224 unq 3 iso 0 dist 8.68767 8.18749 4.42976 7.75485 9.74911 5.95421 5.99647 12.7282 10.0508 5.81334 numMergedOcc 0
22 mol 230 unq 0 iso 0 dist 5.00735 9.32781 4.85368 5.62804 7.07028 9.33469 6.33989 8.43766 10.0551 6.7547 numMergedOcc 0
23 mol 230 unq 1 iso 0 dist 6.73755 9.32781 7.91665 5.62804 5.26217 9.33469 6.33989 10.6474 10.0551 6.7547 numMergedOcc 0
24 mol 256 unq 0 iso 0 dist 8.11884 9.92947 10.2154 5.98967 9.07441 4.85574 6.64029 14.2736 12.7898 8.29103 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 6.59521 8.73425 5.27718 8.21585 9.22664 5.90131 5.13233 8.58088 9.04358 6.42289 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 6.59521 9.65711 9.46467 8.21585 9.22664 4.51422 5.13233 8.58088 10.0455 6.42289 numMergedOcc 0
27 mol 280 unq 0 iso 0 dist 9.047 6.38295 14.0927 8.80588 14.1091 8.26589 8.30978 16.7212 5.41639 6.53701 numMergedOcc 0
28 mol 280 unq 1 iso 0 dist 9.047 6.38295 14.0927 8.80588 14.1091 8.26589 5.80223 13.1827 7.96485 6.0664 numMergedOcc 0
29 mol 280 unq 2 iso 0 dist 9.9227 6.38295 11.4101 8.80588 4.95798 8.26589 8.30978 11.1402 5.41639 6.53701 numMergedOcc 0
30 mol 280 unq 3 iso 0 dist 9.9227 6.38295 11.4101 8.80588 4.95798 8.26589 5.80223 8.85762 7.96485 6.0664 numMergedOcc 0
