0 mol 11 unq 0 iso 0 dist 5.47299 10.0791 6.84216 11.9176 6.76736 5.96346 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.40468 9.68915 6.58046 12.6802 8.84131 4.30695 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 5.40468 9.68915 6.58046 11.6776 6.51674 6.35398 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 8.64504 7.64353 7.7312 11.0283 5.31883 6.41423 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 7.72377 8.67041 8.91596 14.9488 10.8132 7.99969 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 9.33736 9.07666 9.23438 13.1879 8.76454 9.92355 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 9.33736 5.93193 7.17488 13.1879 8.76454 7.68678 numMergedOcc 0
7 mol 81 unq 0 iso 0 dist 7.02755 7.3895 5.51927 11.3649 6.27606 5.65974 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 9.87557 6.66379 8.11702 10.8943 11.1265 7.02927 numMergedOcc 0
9 mol 109 unq 1 iso 0 dist 9.87557 6.66379 8.11702 11.9528 6.57741 6.60933 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 8.71826 6.29657 7.78789 9.0779 6.05048 7.70232 numMergedOcc 0
11 mol 117 unq 1 iso 0 dist 8.71826 6.29657 7.78789 6.3322 4.42665 7.4671 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 6.38786 9.02772 8.99891 15.0939 14.3396 7.78652 numMergedOcc 0
13 mol 143 unq 1 iso 0 dist 6.38786 9.02772 8.99891 14.3233 12.476 8.91301 numMergedOcc 0
14 mol 168 unq 0 iso 0 dist 5.80055 10.9775 8.92592 5.24076 5.71136 7.44629 numMergedOcc 0
15 mol 168 unq 1 iso 0 dist 7.44481 10.9775 9.57452 5.24076 5.46307 7.44629 numMergedOcc 0
16 mol 174 unq 0 iso 0 dist 8.60718 4.69892 5.61673 8.39178 6.65209 8.87569 numMergedOcc 0
17 mol 174 unq 1 iso 0 dist 8.60718 4.69892 5.61673 7.54918 9.87207 9.87122 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 9.21286 13.5618 7.13783 12.8727 4.76454 5.44002 numMergedOcc 0
19 mol 237 unq 0 iso 0 dist 9.79219 16.354 9.14911 11.2863 5.74428 6.99315 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 6.90511 7.48984 5.4557 13.299 7.26991 7.6595 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 6.37248 4.81126 5.41432 9.84312 4.36814 8.87028 numMergedOcc 0
