0 mol 79 unq 0 iso 0 dist 7.74131 8.71103 9.0655 6.05149 11.1999 7.41952 5.55798 4.20398 9.57704 8.64686 numMergedOcc 0
1 mol 129 unq 0 iso 0 dist 9.0455 8.63018 4.99299 5.0466 7.13958 7.07421 6.65878 4.74644 5.06265 7.6453 numMergedOcc 0
2 mol 133 unq 0 iso 0 dist 8.64946 5.68599 5.80658 5.57746 7.17051 5.12189 11.9103 5.9683 10.8516 9.2759 numMergedOcc 0
3 mol 183 unq 0 iso 0 dist 8.68085 7.38821 4.84477 4.0252 10.8849 7.69421 7.99897 8.26824 6.39127 8.29364 numMergedOcc 0
4 mol 183 unq 1 iso 0 dist 8.68085 7.38821 4.84477 4.0252 10.8849 7.69421 11.0442 12.7928 9.01399 8.97652 numMergedOcc 0
5 mol 192 unq 0 iso 0 dist 9.80584 7.252 16.1821 13.2525 22.8677 7.30965 9.78743 19.1942 5.21255 6.2016 numMergedOcc 0
6 mol 192 unq 1 iso 0 dist 9.80584 7.252 16.1821 13.2525 22.8677 7.30965 11.7278 19.6441 5.1366 8.3453 numMergedOcc 0
7 mol 192 unq 2 iso 0 dist 7.95713 7.252 12.9121 13.2525 19.9817 7.30965 9.78743 16.5293 5.21255 6.2016 numMergedOcc 0
8 mol 192 unq 3 iso 0 dist 7.95713 7.252 12.9121 13.2525 19.9817 7.30965 11.7278 15.8535 5.1366 8.3453 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 9.91429 7.19213 7.76556 5.55359 11.6439 7.00683 13.5496 15.1673 8.61406 9.52029 numMergedOcc 0
10 mol 226 unq 0 iso 0 dist 9.37229 8.10096 9.97507 6.92911 7.54614 7.20862 15.606 12.983 12.3908 8.74399 numMergedOcc 0
11 mol 258 unq 0 iso 0 dist 8.37512 9.4886 5.24482 12.1075 13.2187 8.57305 11.4159 9.2365 5.00751 6.33567 numMergedOcc 0
12 mol 259 unq 0 iso 0 dist 5.30455 7.97113 4.77489 6.92619 8.79685 8.91916 11.0717 7.83583 6.40534 8.54422 numMergedOcc 0
13 mol 259 unq 1 iso 0 dist 5.30455 7.97113 4.77489 6.92619 8.79685 8.91916 10.5924 8.59067 9.57286 7.67473 numMergedOcc 0
14 mol 259 unq 2 iso 0 dist 5.30455 5.22111 4.59239 6.92619 8.79685 4.55368 11.0717 7.83583 6.14631 8.54422 numMergedOcc 0
15 mol 259 unq 3 iso 0 dist 5.30455 5.22111 4.59239 6.92619 8.79685 4.55368 10.5924 8.59067 6.89689 7.67473 numMergedOcc 0
16 mol 259 unq 4 iso 0 dist 7.34794 7.97113 7.10624 6.92619 8.06908 8.91916 11.0717 5.99165 6.40534 8.54422 numMergedOcc 0
17 mol 259 unq 5 iso 0 dist 7.34794 7.97113 7.10624 6.92619 8.06908 8.91916 10.5924 4.78344 9.57286 7.67473 numMergedOcc 0
18 mol 259 unq 6 iso 0 dist 7.34794 5.22111 5.09929 6.92619 8.06908 4.55368 11.0717 5.99165 6.14631 8.54422 numMergedOcc 0
19 mol 259 unq 7 iso 0 dist 7.34794 5.22111 5.09929 6.92619 8.06908 4.55368 10.5924 4.78344 6.89689 7.67473 numMergedOcc 0
20 mol 259 unq 8 iso 0 dist 6.8184 8.38479 4.77489 11.3266 8.79685 8.91916 13.7519 7.83583 6.40534 8.54422 numMergedOcc 0
21 mol 259 unq 9 iso 0 dist 6.8184 8.38479 4.77489 11.3266 8.79685 8.91916 14.6605 8.59067 9.57286 7.67473 numMergedOcc 0
22 mol 259 unq 10 iso 0 dist 6.8184 8.53598 4.59239 11.3266 8.79685 4.55368 13.7519 7.83583 6.14631 8.54422 numMergedOcc 0
23 mol 259 unq 11 iso 0 dist 6.8184 8.53598 4.59239 11.3266 8.79685 4.55368 14.6605 8.59067 6.89689 7.67473 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 9.27493 7.62562 13.2785 10.4456 17.8549 6.12202 16.7249 23.4368 10.3702 9.34051 numMergedOcc 0
25 mol 283 unq 0 iso 0 dist 8.36393 7.90132 12.3631 5.37953 12.3918 7.53773 12.7983 18.223 6.85055 9.243 numMergedOcc 0
