0 mol 7 unq 0 iso 0 dist 9.34656 15.0884 6.36911 16.3136 8.81608 6.88805 17.9527 13.0969 9.68596 10.3333 numMergedOcc 0
1 mol 21 unq 0 iso 0 dist 4.82549 6.5268 6.08338 10.0518 9.35562 14.0241 13.2376 10.2036 9.06424 14.491 numMergedOcc 0
2 mol 21 unq 1 iso 0 dist 4.82549 6.5268 6.08338 6.53652 8.63857 4.20001 13.2376 10.2036 9.06424 13.0295 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 5.97065 7.89671 8.82012 4.18634 5.84066 5.56139 8.69142 4.98603 6.46104 6.07276 numMergedOcc 0
4 mol 155 unq 0 iso 0 dist 9.70106 7.52846 9.38946 4.33327 7.29911 4.91785 13.4295 9.50478 7.92304 9.16358 numMergedOcc 0
5 mol 184 unq 0 iso 0 dist 7.09847 4.59843 9.52936 11.9266 7.59939 13.8904 6.71675 7.4793 6.42735 14.4075 numMergedOcc 0
6 mol 197 unq 0 iso 0 dist 6.58245 14.8922 8.99696 9.66766 9.27218 17.0276 15.4381 11.1666 7.50013 17.3389 numMergedOcc 0
7 mol 197 unq 1 iso 0 dist 6.58245 14.8922 8.99696 9.66766 9.27218 17.0276 18.3686 13.3562 5.81233 20.8891 numMergedOcc 0
8 mol 197 unq 2 iso 0 dist 6.58245 14.8922 8.99696 9.66766 9.27218 17.0276 10.8962 4.59269 6.92924 10.228 numMergedOcc 0
9 mol 197 unq 3 iso 0 dist 6.58245 14.8922 8.99696 9.66766 9.27218 17.0276 19.5004 12.9766 7.14306 17.9946 numMergedOcc 0
10 mol 213 unq 0 iso 0 dist 4.80429 7.18317 6.0965 5.36933 8.65196 10.1881 9.65238 6.17282 7.37798 14.4091 numMergedOcc 0
11 mol 213 unq 1 iso 0 dist 4.80429 7.18317 6.0965 5.36933 8.65196 10.1881 12.009 10.5013 7.73322 11.7032 numMergedOcc 0
12 mol 213 unq 2 iso 0 dist 6.38872 7.18317 9.59129 5.36933 5.461 10.1881 9.65238 12.1116 7.37798 14.4091 numMergedOcc 0
13 mol 213 unq 3 iso 0 dist 6.38872 7.18317 9.59129 5.36933 5.461 10.1881 12.009 9.93085 7.73322 11.7032 numMergedOcc 0
14 mol 218 unq 0 iso 0 dist 5.66171 12.0404 7.17547 6.27279 8.61306 15.6802 12.4533 7.21048 6.1951 14.4908 numMergedOcc 0
15 mol 234 unq 0 iso 0 dist 7.54327 5.28657 6.16063 16.363 9.11572 13.1872 5.74541 5.70413 6.30154 14.1037 numMergedOcc 0
16 mol 234 unq 1 iso 0 dist 7.54327 5.28657 6.16063 16.363 9.11572 13.1872 12.0552 7.17691 7.32499 7.77911 numMergedOcc 0
17 mol 235 unq 0 iso 0 dist 9.24964 6.70342 9.58736 9.94369 7.02029 13.7306 4.46919 13.128 9.55668 13.3153 numMergedOcc 0
18 mol 235 unq 1 iso 0 dist 9.24964 6.38281 9.43058 9.94369 7.02029 7.31605 10.4836 17.5445 9.21736 13.6809 numMergedOcc 0
19 mol 235 unq 2 iso 0 dist 9.24964 14.8599 6.98084 9.94369 7.02029 8.26028 20.1095 11.921 8.69356 16.4608 numMergedOcc 0
20 mol 235 unq 3 iso 0 dist 5.71896 6.01036 9.58736 7.91326 7.02029 13.7306 9.62712 13.128 9.55668 13.3153 numMergedOcc 0
21 mol 235 unq 4 iso 0 dist 5.71896 4.99641 9.43058 7.91326 7.02029 7.31605 13.211 17.5445 9.21736 13.6809 numMergedOcc 0
22 mol 235 unq 5 iso 0 dist 5.71896 12.2179 6.98084 7.91326 7.02029 8.26028 17.4964 11.921 8.69356 16.4608 numMergedOcc 0
23 mol 235 unq 6 iso 0 dist 8.3229 17.1296 9.58736 5.72513 7.02029 13.7306 16.7098 13.128 9.55668 13.3153 numMergedOcc 0
24 mol 235 unq 7 iso 0 dist 8.3229 12.86 9.43058 5.72513 7.02029 7.31605 18.6203 17.5445 9.21736 13.6809 numMergedOcc 0
25 mol 235 unq 8 iso 0 dist 8.3229 4.29928 6.98084 5.72513 7.02029 8.26028 12.7836 11.921 8.69356 16.4608 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 8.38395 6.45522 9.19234 11.3961 6.66172 8.87855 15.227 12.625 9.45514 9.65868 numMergedOcc 0
27 mol 274 unq 1 iso 0 dist 8.38395 6.45522 9.19234 11.3961 6.66172 8.87855 6.74022 4.60275 6.39866 8.60027 numMergedOcc 0
