0 mol 79 unq 0 iso 0 dist 8.01516 10.5523 7.41952 15.8477 8.64686 9.57704 13.9046 6.05149 8.71103 5.55798 numMergedOcc 0
1 mol 99 unq 0 iso 0 dist 8.44207 6.9006 6.81741 4.95662 8.68674 4.74328 8.81282 6.02095 5.33644 5.61946 numMergedOcc 0
2 mol 129 unq 0 iso 0 dist 7.13958 4.99299 7.07421 4.74644 7.6453 5.06265 9.0455 5.0466 8.63018 6.65878 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 9.96416 8.58899 9.07294 5.9683 5.79195 5.35551 12.6339 8.75242 6.85651 6.9268 numMergedOcc 0
4 mol 133 unq 1 iso 0 dist 9.96416 8.58899 9.07294 5.9683 5.79195 5.35551 12.8104 6.45333 7.03858 8.19166 numMergedOcc 0
5 mol 133 unq 2 iso 0 dist 7.17051 5.80658 5.12189 5.9683 9.2759 10.8516 8.64946 5.57746 5.68599 11.9103 numMergedOcc 0
6 mol 133 unq 3 iso 0 dist 7.17051 8.58899 7.50126 5.9683 9.2759 5.35551 12.6339 14.0828 6.85651 6.9268 numMergedOcc 0
7 mol 133 unq 4 iso 0 dist 7.17051 8.58899 7.50126 5.9683 9.2759 5.35551 12.8104 11.5586 7.03858 8.19166 numMergedOcc 0
8 mol 217 unq 0 iso 0 dist 8.60259 5.30434 6.01666 6.44163 7.60302 5.16489 10.7481 4.10975 8.79299 7.80898 numMergedOcc 0
9 mol 226 unq 0 iso 0 dist 7.54614 9.97507 7.20862 12.983 8.74399 12.3908 9.37229 6.92911 8.10096 15.606 numMergedOcc 0
10 mol 244 unq 0 iso 0 dist 9.53211 13.7123 6.51428 11.4783 7.43391 4.69664 14.7581 5.45847 6.06284 9.80233 numMergedOcc 0
11 mol 244 unq 1 iso 0 dist 9.53211 13.7123 6.51428 4.30655 7.79787 13.4155 14.7581 5.45847 6.06284 12.6281 numMergedOcc 0
12 mol 259 unq 0 iso 0 dist 8.06908 7.10624 8.91916 5.99165 8.54422 6.40534 7.34794 6.92619 7.97113 11.0717 numMergedOcc 0
13 mol 259 unq 1 iso 0 dist 8.06908 7.10624 8.91916 5.99165 8.54422 6.40534 10.6881 11.3266 8.38479 13.7519 numMergedOcc 0
14 mol 259 unq 2 iso 0 dist 8.06908 7.10624 8.91916 4.78344 7.67473 9.57286 7.34794 6.92619 7.97113 10.5924 numMergedOcc 0
15 mol 259 unq 3 iso 0 dist 8.06908 7.10624 8.91916 4.78344 7.67473 9.57286 10.6881 11.3266 8.38479 14.6605 numMergedOcc 0
16 mol 259 unq 4 iso 0 dist 8.06908 5.09929 4.55368 5.99165 8.54422 6.14631 7.34794 6.92619 5.22111 11.0717 numMergedOcc 0
17 mol 259 unq 5 iso 0 dist 8.06908 5.09929 4.55368 5.99165 8.54422 6.14631 10.6881 11.3266 8.53598 13.7519 numMergedOcc 0
18 mol 259 unq 6 iso 0 dist 8.06908 5.09929 4.55368 4.78344 7.67473 6.89689 7.34794 6.92619 5.22111 10.5924 numMergedOcc 0
19 mol 259 unq 7 iso 0 dist 8.06908 5.09929 4.55368 4.78344 7.67473 6.89689 10.6881 11.3266 8.53598 14.6605 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 9.81689 12.7023 9.50814 10.531 7.52632 3.89234 14.6106 5.62902 8.22353 8.01664 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 6.28023 5.66978 6.12202 5.02003 9.34051 10.3702 11.7519 10.4456 7.62562 16.7249 numMergedOcc 0
