0 mol 44 unq 0 iso 0 dist 7.03812 4.0144 9.16411 9.60832 9.17518 12.5896 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 7.03812 4.0144 9.16411 5.27237 8.21833 6.50809 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 5.74389 4.6006 8.23849 10.492 8.80104 14.3205 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 5.74389 11.4038 6.4776 10.492 8.80104 6.71645 numMergedOcc 0
4 mol 71 unq 0 iso 0 dist 8.67545 3.91691 9.73011 6.82169 6.48531 4.96361 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 7.81334 4.16711 7.95949 5.72925 8.69209 9.47947 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 8.42713 9.45097 8.16531 12.5605 7.85041 14.3084 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 8.42713 16.4676 8.98593 12.5605 7.85041 12.7552 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 8.21032 13.7524 8.16531 10.878 7.85041 14.3084 numMergedOcc 0
9 mol 93 unq 3 iso 0 dist 8.21032 4.07972 8.98593 10.878 7.85041 12.7552 numMergedOcc 0
10 mol 128 unq 0 iso 0 dist 9.85832 5.72562 9.47172 10.7037 9.89462 5.53962 numMergedOcc 0
11 mol 128 unq 1 iso 0 dist 7.49024 7.5191 9.47172 8.80709 9.89462 5.53962 numMergedOcc 0
12 mol 151 unq 0 iso 0 dist 5.87912 3.92946 7.28671 6.2508 5.63814 6.76183 numMergedOcc 0
13 mol 151 unq 1 iso 0 dist 7.06678 5.14768 7.28671 5.32583 5.63814 6.76183 numMergedOcc 0
14 mol 154 unq 0 iso 0 dist 9.2042 3.82471 7.00443 12.9483 7.53158 10.0831 numMergedOcc 0
15 mol 154 unq 1 iso 0 dist 9.2042 3.82471 7.00443 9.90775 7.43407 6.40897 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 6.92225 4.86148 6.64084 5.49464 6.39981 8.64445 numMergedOcc 0
17 mol 237 unq 0 iso 0 dist 9.74081 15.929 7.61091 9.68452 7.35569 10.3017 numMergedOcc 0
18 mol 240 unq 0 iso 0 dist 8.44671 12.6329 8.67485 7.4874 8.33853 6.14722 numMergedOcc 0
19 mol 240 unq 1 iso 0 dist 8.44671 12.6329 8.67485 3.97303 5.66537 11.0093 numMergedOcc 0
20 mol 250 unq 0 iso 0 dist 9.43554 6.49284 7.78686 14.0983 8.70484 12.8497 numMergedOcc 0
21 mol 250 unq 1 iso 0 dist 9.21681 12.4291 7.78686 10.9117 8.70484 12.8497 numMergedOcc 0
22 mol 270 unq 0 iso 0 dist 8.05859 9.50342 6.24324 12.734 6.31869 7.58893 numMergedOcc 0
23 mol 272 unq 0 iso 0 dist 8.62966 4.35986 8.34116 6.83359 6.45328 4.60751 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 5.63154 9.44846 9.56438 7.73611 8.23056 6.70116 numMergedOcc 0
