0 mol 26 unq 0 iso 0 dist 8.62527 9.7522 4.52042 15.0931 10.9309 8.34347 14.6525 12.3309 8.44506 13.2876 numMergedOcc 0
1 mol 71 unq 0 iso 0 dist 9.42315 8.85372 6.44499 9.64576 12.9508 7.38797 6.90782 9.90053 7.77916 6.6504 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 8.18252 4.50572 11.8887 6.88489 12.9146 5.08437 7.87523 9.60416 7.26086 7.32662 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 8.18252 4.50572 11.8887 9.63267 17.6559 6.48948 7.87523 9.60416 7.26086 13.4985 numMergedOcc 0
4 mol 98 unq 2 iso 0 dist 8.18252 4.50572 11.8887 9.82583 14.9393 6.10456 7.87523 9.60416 7.26086 6.934 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 9.28645 7.15985 9.99381 6.68714 15.24 9.60462 6.84906 12.0445 8.729 11.0629 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 9.28645 7.15985 9.99381 6.71889 14.459 7.45389 6.84906 12.0445 8.729 5.48848 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.87592 4.98864 5.19652 6.59772 8.97043 6.11741 5.01124 9.73461 5.74857 6.08806 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 5.87592 4.98864 5.19652 10.9437 12.9647 7.88312 5.01124 9.73461 5.74857 7.21418 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 8.37388 7.95871 5.19652 4.86477 8.97043 6.11741 7.39793 9.73461 5.74857 6.08806 numMergedOcc 0
10 mol 115 unq 3 iso 0 dist 8.37388 7.95871 5.19652 12.0354 12.9647 7.88312 7.39793 9.73461 5.74857 7.21418 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 7.46875 7.81337 5.29825 11.4498 12.0117 6.85062 6.99491 12.0195 9.29384 9.32969 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 9.19555 5.80441 6.93557 9.82186 16.3276 9.62337 5.05257 13.0248 9.18528 8.66662 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 7.71569 5.36829 5.68711 11.7583 13.6328 9.65138 8.38755 7.30003 6.38157 7.38025 numMergedOcc 0
14 mol 214 unq 1 iso 0 dist 7.71569 5.36829 5.68711 4.98764 11.6154 7.14453 8.38755 7.30003 6.38157 9.35273 numMergedOcc 0
15 mol 214 unq 2 iso 0 dist 7.71569 5.36829 5.68711 12.3481 11.5105 8.85478 8.38755 7.30003 6.38157 5.63388 numMergedOcc 0
16 mol 229 unq 0 iso 0 dist 9.33775 8.6537 10.8091 8.65216 12.1289 8.22528 7.78418 15.7621 8.92743 11.6847 numMergedOcc 0
17 mol 229 unq 1 iso 0 dist 9.33775 8.6537 10.8091 10.7439 15.5492 7.03423 7.78418 15.7621 8.92743 9.62106 numMergedOcc 0
18 mol 229 unq 2 iso 0 dist 9.33775 5.57702 10.9466 6.21233 14.9098 9.87838 7.78418 15.7621 5.77318 7.7339 numMergedOcc 0
19 mol 253 unq 0 iso 0 dist 8.11437 7.15815 7.07333 4.93871 10.7144 9.02271 9.82329 11.623 7.77998 13.6942 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 6.41167 5.73834 5.13233 6.48867 10.7821 6.60405 10.6333 12.9634 9.53063 6.6525 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 6.41167 5.73834 5.13233 7.52881 8.21585 6.42289 10.6333 12.9634 9.53063 5.27959 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 9.03983 6.42725 7.27401 8.70769 11.8092 5.30224 12.2782 15.636 8.59697 7.31951 numMergedOcc 0
