0 mol 25 unq 0 iso 0 dist 8.83402 5.03904 8.27137 8.46842 5.59268 4.79873 16.8735 13.4236 12.7147 9.48085 numMergedOcc 0
1 mol 78 unq 0 iso 0 dist 5.8409 10.8182 7.32064 8.40871 7.17843 6.85523 3.48199 5.85007 8.2592 5.77326 numMergedOcc 0
2 mol 78 unq 1 iso 0 dist 5.8409 10.8182 7.32064 15.4151 13.1649 8.65848 18.2663 14.2511 7.95975 7.25801 numMergedOcc 0
3 mol 78 unq 2 iso 0 dist 5.8409 3.48199 5.85007 8.40871 7.17843 5.77326 10.8182 7.32064 8.2592 6.85523 numMergedOcc 0
4 mol 78 unq 3 iso 0 dist 8.13368 10.8182 4.62314 8.40871 4.4651 6.85523 3.48199 6.35234 8.2592 5.77326 numMergedOcc 0
5 mol 78 unq 4 iso 0 dist 8.13368 10.8182 4.62314 15.4151 9.31889 8.65848 18.2663 10.6907 7.95975 7.25801 numMergedOcc 0
6 mol 78 unq 5 iso 0 dist 8.13368 3.48199 6.35234 8.40871 4.4651 5.77326 10.8182 4.62314 8.2592 6.85523 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 4.3761 4.54306 5.33961 11.233 12.7318 7.54889 10.9661 10.5543 6.70343 5.2571 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 4.3761 4.54306 5.33961 9.48388 12.3835 7.78931 10.9661 10.5543 6.70343 8.7497 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 6.31509 12.8104 8.3505 12.036 10.4417 5.92242 5.43272 7.34638 9.6331 7.02507 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 6.31509 12.8104 8.3505 15.5963 11.3628 5.2571 19.3721 14.2657 6.70343 7.54889 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 6.31509 12.8104 8.3505 19.1505 13.9599 8.7497 19.3721 14.2657 6.70343 7.78931 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 6.31509 5.43272 7.34638 12.036 10.4417 7.02507 12.8104 8.3505 9.6331 5.92242 numMergedOcc 0
13 mol 98 unq 6 iso 0 dist 6.14782 5.43272 6.0995 12.036 9.63267 7.02507 12.8104 8.32269 9.6331 5.92242 numMergedOcc 0
14 mol 98 unq 7 iso 0 dist 5.84583 4.54306 5.08983 11.233 7.1452 7.54889 10.9661 9.58039 6.70343 5.2571 numMergedOcc 0
15 mol 98 unq 8 iso 0 dist 5.84583 4.54306 5.08983 9.48388 4.96747 7.78931 10.9661 9.58039 6.70343 8.7497 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 4.76012 5.75588 6.53559 6.1421 6.43966 5.51197 3.82645 8.23699 5.94312 6.69691 numMergedOcc 0
17 mol 129 unq 1 iso 0 dist 4.76012 5.75588 6.53559 6.1421 6.43966 5.51197 4.18263 7.90844 9.74141 8.86944 numMergedOcc 0
18 mol 129 unq 2 iso 0 dist 4.76012 4.18263 7.90844 6.1421 6.43966 8.86944 5.75588 6.53559 9.74141 5.51197 numMergedOcc 0
19 mol 129 unq 3 iso 0 dist 4.76012 4.18263 7.90844 6.1421 6.43966 8.86944 3.82645 8.23699 5.35495 6.69691 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 8.22824 4.78701 8.78303 9.11672 6.36794 8.69531 3.64555 10.6236 5.83782 9.1998 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 5.39622 8.53889 6.52441 15.4026 11.7795 7.2793 8.08647 8.16639 3.47886 9.51091 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 5.39622 8.53889 6.52441 15.4026 11.7795 7.2793 20.9976 18.1478 12.5618 7.85184 numMergedOcc 0
23 mol 197 unq 0 iso 0 dist 8.05227 4.26432 6.0033 7.18765 7.56497 9.10817 14.0652 14.8201 16.8666 9.73548 numMergedOcc 0
24 mol 225 unq 0 iso 0 dist 7.11262 4.57447 7.25438 11.8089 9.20928 8.14831 17.2458 15.0418 13.7858 6.50998 numMergedOcc 0
25 mol 225 unq 1 iso 0 dist 7.11262 4.57447 7.25438 11.8089 9.20928 8.14831 14.4436 15.8693 11.2712 9.09424 numMergedOcc 0
26 mol 270 unq 0 iso 0 dist 4.60602 4.65147 6.46935 9.02113 5.00269 9.31275 7.14116 5.98384 5.42225 8.56508 numMergedOcc 0
27 mol 270 unq 1 iso 0 dist 4.60602 7.14116 5.98384 9.02113 5.00269 8.56508 4.65147 6.46935 5.42225 9.31275 numMergedOcc 0
28 mol 270 unq 2 iso 0 dist 6.62637 7.68003 6.46935 11.1647 5.00269 9.31275 5.44817 5.98384 5.42225 8.56508 numMergedOcc 0
29 mol 270 unq 3 iso 0 dist 6.62637 5.44817 5.98384 11.1647 5.00269 8.56508 7.68003 6.46935 5.42225 9.31275 numMergedOcc 0
30 mol 292 unq 0 iso 0 dist 6.84909 4.77692 5.72473 6.87804 8.04474 7.20674 6.38012 12.7549 9.14614 8.38121 numMergedOcc 0
