0 mol 24 unq 0 iso 0 dist 8.0319 11.4109 6.86014 4.19221 7.49157 8.66248 15.5112 10.0952 8.86116 14.9512 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.0319 11.4109 6.86014 6.17633 7.73794 6.73521 15.5112 10.0952 8.86116 12.1131 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.03754 13.1056 6.20293 3.83842 9.02471 14.0654 12.7352 5.06502 5.73819 13.9823 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.03754 13.1056 6.20293 3.83842 9.02471 14.0654 10.5813 6.45462 8.93915 13.2795 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 8.4143 13.7926 9.78528 3.63735 6.62699 10.7434 8.21743 8.24309 9.96708 4.86198 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.67557 9.9705 6.19965 4.21164 8.04242 8.18948 14.3639 5.42586 7.97049 11.5901 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 9.67557 15.3279 7.66905 4.21164 8.04242 14.113 14.3639 5.42586 7.47541 11.5901 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 9.67557 15.3279 7.66905 4.21164 8.04242 14.113 19.3849 10.1164 5.73196 17.4114 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 8.00624 15.4586 8.54584 6.61102 7.97548 12.5321 11.5175 4.61027 8.53613 9.9291 numMergedOcc 0
9 mol 129 unq 1 iso 0 dist 8.00624 15.4586 8.54584 9.0678 9.64164 11.3755 11.5175 4.61027 8.53613 12.7196 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 8.41774 13.793 6.70283 15.2106 9.00072 4.73288 13.7313 5.42328 5.87555 7.59457 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 8.41774 13.793 6.70283 15.2106 9.00072 4.73288 12.3711 6.4896 8.67331 7.55419 numMergedOcc 0
12 mol 152 unq 2 iso 0 dist 8.41774 11.2124 7.16148 15.2106 9.00072 4.70284 13.7313 5.42328 8.87437 7.59457 numMergedOcc 0
13 mol 152 unq 3 iso 0 dist 8.41774 11.2124 7.16148 15.2106 9.00072 4.70284 12.3711 6.4896 8.05741 7.55419 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 7.51951 5.04299 7.26832 11.1775 7.13783 13.3822 9.80543 7.38516 6.03031 13.3708 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 7.51951 5.04299 7.26832 11.1775 7.13783 13.3822 12.4766 13.8543 7.80463 20.4298 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 8.11407 7.72969 7.7366 3.98316 4.51255 7.83734 8.95375 5.63422 9.774 6.23183 numMergedOcc 0
17 mol 206 unq 1 iso 0 dist 8.95375 7.72969 9.774 3.98316 6.23183 7.83734 8.11407 5.63422 7.7366 4.51255 numMergedOcc 0
18 mol 206 unq 2 iso 0 dist 9.29007 9.9578 9.774 13.2719 6.23183 7.83734 11.3921 5.63422 7.7366 4.51255 numMergedOcc 0
19 mol 253 unq 0 iso 0 dist 8.82388 9.65021 8.31064 10.8478 9.19385 6.0222 14.3398 8.02948 6.73034 9.1927 numMergedOcc 0
20 mol 253 unq 1 iso 0 dist 8.82388 9.65021 8.31064 7.50228 7.14243 6.93212 14.3398 8.02948 6.73034 9.60694 numMergedOcc 0
21 mol 253 unq 2 iso 0 dist 8.82388 9.65021 8.31064 10.7148 5.77511 10.2118 14.3398 8.02948 6.73034 9.27311 numMergedOcc 0
22 mol 253 unq 3 iso 0 dist 8.82388 9.65021 8.31064 10.7198 7.81382 12.4811 14.3398 8.02948 6.73034 12.3519 numMergedOcc 0
23 mol 261 unq 0 iso 0 dist 7.00833 6.75336 8.45658 4.80385 8.24356 11.4108 10.0402 7.00201 9.14619 12.3855 numMergedOcc 0
