0 mol 26 unq 0 iso 0 dist 8.62527 9.7522 4.52042 15.0931 10.9309 8.34347 11.7823 10.7269 6.73162 7.23546 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 8.34361 5.97635 5.65405 10.7219 14.4402 9.5589 8.98505 8.41365 5.02241 6.91765 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 8.34361 5.97635 5.65405 6.76462 10.5929 6.83299 8.98505 8.41365 5.02241 5.06052 numMergedOcc 0
3 mol 54 unq 2 iso 0 dist 8.34361 5.97635 5.65405 13.2619 6.54183 8.10861 8.98505 8.41365 5.02241 10.1332 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 7.49861 8.99491 11.6779 4.96726 11.8671 9.67592 6.84612 10.4215 8.68586 5.3948 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 6.2165 8.99491 10.1207 4.96726 10.9973 9.67592 6.84612 11.8445 8.68586 5.3948 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 5.87592 4.98864 5.19652 6.59772 8.97043 6.11741 5.46352 8.77794 6.99777 10.8292 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 5.87592 4.98864 5.19652 6.59772 8.97043 6.11741 10.1017 13.7249 9.14376 6.12943 numMergedOcc 0
8 mol 115 unq 2 iso 0 dist 5.87592 4.98864 5.19652 10.9437 12.9647 7.88312 5.46352 8.77794 6.99777 11.7126 numMergedOcc 0
9 mol 115 unq 3 iso 0 dist 5.87592 4.98864 5.19652 10.9437 12.9647 7.88312 10.1017 13.7249 9.14376 4.62962 numMergedOcc 0
10 mol 115 unq 4 iso 0 dist 8.37388 7.95871 5.19652 4.86477 8.97043 6.11741 10.3995 8.77794 6.99777 10.8292 numMergedOcc 0
11 mol 115 unq 5 iso 0 dist 8.37388 7.95871 5.19652 4.86477 8.97043 6.11741 9.81323 13.7249 9.14376 6.12943 numMergedOcc 0
12 mol 115 unq 6 iso 0 dist 8.37388 7.95871 5.19652 12.0354 12.9647 7.88312 10.3995 8.77794 6.99777 11.7126 numMergedOcc 0
13 mol 115 unq 7 iso 0 dist 8.37388 7.95871 5.19652 12.0354 12.9647 7.88312 9.81323 13.7249 9.14376 4.62962 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 7.46875 7.81337 5.29825 11.4498 12.0117 6.85062 6.25099 10.1792 6.91348 6.19596 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 7.46875 7.81337 5.29825 11.4498 12.0117 6.85062 14.8295 13.4104 9.51418 6.6499 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.14877 9.84952 7.07865 4.3158 9.79901 7.81386 11.14 13.3613 7.98142 9.53462 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 9.14877 9.84952 7.07865 4.3158 9.79901 7.81386 10.9006 9.7281 7.37327 11.1462 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 9.14877 9.84952 7.07865 12.9554 13.7928 7.63312 11.14 13.3613 7.98142 9.60512 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 9.14877 9.84952 7.07865 12.9554 13.7928 7.63312 10.9006 9.7281 7.37327 13.3389 numMergedOcc 0
20 mol 181 unq 4 iso 0 dist 8.18021 9.84952 13.9526 4.3158 11.2136 7.81386 11.14 18.0564 7.98142 9.53462 numMergedOcc 0
21 mol 181 unq 5 iso 0 dist 8.18021 9.84952 13.9526 4.3158 11.2136 7.81386 10.9006 15.2712 7.37327 11.1462 numMergedOcc 0
22 mol 181 unq 6 iso 0 dist 8.18021 9.84952 13.9526 12.9554 18.7611 7.63312 11.14 18.0564 7.98142 9.60512 numMergedOcc 0
23 mol 181 unq 7 iso 0 dist 8.18021 9.84952 13.9526 12.9554 18.7611 7.63312 10.9006 15.2712 7.37327 13.3389 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 7.71569 5.36829 5.68711 11.7583 13.6328 9.65138 8.69149 12.4978 6.97182 6.16485 numMergedOcc 0
25 mol 214 unq 1 iso 0 dist 7.71569 5.36829 5.68711 11.7583 13.6328 9.65138 6.00706 11.0481 6.1175 11.5712 numMergedOcc 0
26 mol 214 unq 2 iso 0 dist 7.71569 5.36829 5.68711 4.98764 11.6154 7.14453 8.69149 12.4978 6.97182 5.33565 numMergedOcc 0
27 mol 214 unq 3 iso 0 dist 7.71569 5.36829 5.68711 4.98764 11.6154 7.14453 6.00706 11.0481 6.1175 5.06792 numMergedOcc 0
28 mol 214 unq 4 iso 0 dist 7.71569 5.36829 5.68711 12.3481 11.5105 8.85478 8.69149 12.4978 6.97182 8.47007 numMergedOcc 0
29 mol 214 unq 5 iso 0 dist 7.71569 5.36829 5.68711 12.3481 11.5105 8.85478 6.00706 11.0481 6.1175 12.8334 numMergedOcc 0
30 mol 235 unq 0 iso 0 dist 8.52954 7.08539 12.2063 7.38431 15.1022 5.4638 4.28284 10.0749 9.58736 9.66021 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 9.18345 6.24928 5.33697 5.33567 6.06422 6.57393 6.66018 12.075 6.91569 10.9761 numMergedOcc 0
32 mol 253 unq 0 iso 0 dist 8.11437 7.15815 7.07333 4.93871 10.7144 9.02271 8.75798 6.52138 7.19465 7.92528 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 9.03983 6.42725 7.27401 8.70769 11.8092 5.30224 7.53102 10.4321 6.77938 4.99891 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 9.03983 6.42725 7.27401 8.70769 11.8092 5.30224 6.58569 13.6233 7.76676 5.32839 numMergedOcc 0
