0 mol 86 unq 0 iso 0 dist 8.88225 7.3718 9.49308 8.73453 9.5497 10.7693 14.1743 7.79359 12.091 9.68893 numMergedOcc 0
1 mol 86 unq 0 iso 1 dist 9.49308 7.3718 8.88225 10.7693 9.5497 8.73453 12.091 7.79359 14.1743 9.68893 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 9.72689 14.8895 7.74197 13.7794 9.36773 4.0486 7.10144 8.66514 10.0278 8.4283 numMergedOcc 0
3 mol 88 unq 0 iso 1 dist 7.74197 14.8895 9.72689 4.0486 9.36773 13.7794 10.0278 8.66514 7.10144 8.4283 numMergedOcc 0
4 mol 88 unq 1 iso 0 dist 9.72689 14.8895 7.74197 13.7794 9.36773 4.0486 9.32959 9.25235 8.37153 5.37521 numMergedOcc 0
5 mol 88 unq 1 iso 1 dist 7.74197 14.8895 9.72689 4.0486 9.36773 13.7794 8.37153 9.25235 9.32959 5.37521 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 4.98864 5.11161 7.95871 6.59772 6.11741 4.86477 5.46352 6.99777 10.3995 10.8292 numMergedOcc 0
7 mol 115 unq 0 iso 1 dist 7.95871 5.11161 4.98864 4.86477 6.11741 6.59772 10.3995 6.99777 5.46352 10.8292 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 4.98864 5.11161 7.95871 6.59772 6.11741 4.86477 10.1017 9.14376 9.81323 6.12943 numMergedOcc 0
9 mol 115 unq 1 iso 1 dist 7.95871 5.11161 4.98864 4.86477 6.11741 6.59772 9.81323 9.14376 10.1017 6.12943 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 4.98864 5.11161 7.95871 10.9437 7.88312 12.0354 5.46352 6.99777 10.3995 11.7126 numMergedOcc 0
11 mol 115 unq 2 iso 1 dist 7.95871 5.11161 4.98864 12.0354 7.88312 10.9437 10.3995 6.99777 5.46352 11.7126 numMergedOcc 0
12 mol 115 unq 3 iso 0 dist 4.98864 5.11161 7.95871 10.9437 7.88312 12.0354 10.1017 9.14376 9.81323 4.62962 numMergedOcc 0
13 mol 115 unq 3 iso 1 dist 7.95871 5.11161 4.98864 12.0354 7.88312 10.9437 9.81323 9.14376 10.1017 4.62962 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 9.92932 6.22325 9.55556 10.5108 8.94367 11.9294 6.27009 8.79571 10.2625 5.41704 numMergedOcc 0
15 mol 134 unq 0 iso 1 dist 9.55556 6.22325 9.92932 11.9294 8.94367 10.5108 10.2625 8.79571 6.27009 5.41704 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 9.92932 6.22325 9.55556 6.20443 9.86662 6.36794 6.27009 8.79571 10.2625 6.17103 numMergedOcc 0
17 mol 134 unq 1 iso 1 dist 9.55556 6.22325 9.92932 6.36794 9.86662 6.20443 10.2625 8.79571 6.27009 6.17103 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 9.51764 13.4632 5.36829 6.28065 9.65138 11.7583 6.09245 6.97182 8.69149 6.16485 numMergedOcc 0
19 mol 214 unq 0 iso 1 dist 5.36829 13.4632 9.51764 11.7583 9.65138 6.28065 8.69149 6.97182 6.09245 6.16485 numMergedOcc 0
20 mol 214 unq 1 iso 0 dist 9.51764 13.4632 5.36829 6.28065 9.65138 11.7583 10.8345 6.1175 6.00706 11.5712 numMergedOcc 0
21 mol 214 unq 1 iso 1 dist 5.36829 13.4632 9.51764 11.7583 9.65138 6.28065 6.00706 6.1175 10.8345 11.5712 numMergedOcc 0
22 mol 214 unq 2 iso 0 dist 9.51764 13.4632 5.36829 11.2159 7.14453 4.98764 6.09245 6.97182 8.69149 5.33565 numMergedOcc 0
23 mol 214 unq 2 iso 1 dist 5.36829 13.4632 9.51764 4.98764 7.14453 11.2159 8.69149 6.97182 6.09245 5.33565 numMergedOcc 0
24 mol 214 unq 3 iso 0 dist 9.51764 13.4632 5.36829 11.2159 7.14453 4.98764 10.8345 6.1175 6.00706 5.06792 numMergedOcc 0
25 mol 214 unq 3 iso 1 dist 5.36829 13.4632 9.51764 4.98764 7.14453 11.2159 6.00706 6.1175 10.8345 5.06792 numMergedOcc 0
26 mol 214 unq 4 iso 0 dist 9.51764 13.4632 5.36829 6.53326 8.85478 12.3481 6.09245 6.97182 8.69149 8.47007 numMergedOcc 0
27 mol 214 unq 4 iso 1 dist 5.36829 13.4632 9.51764 12.3481 8.85478 6.53326 8.69149 6.97182 6.09245 8.47007 numMergedOcc 0
28 mol 214 unq 5 iso 0 dist 9.51764 13.4632 5.36829 6.53326 8.85478 12.3481 10.8345 6.1175 6.00706 12.8334 numMergedOcc 0
29 mol 214 unq 5 iso 1 dist 5.36829 13.4632 9.51764 12.3481 8.85478 6.53326 6.00706 6.1175 10.8345 12.8334 numMergedOcc 0
30 mol 234 unq 0 iso 0 dist 7.46434 14.7028 7.50424 13.0285 8.41436 6.88707 4.21173 6.16063 13.0543 11.3297 numMergedOcc 0
31 mol 234 unq 0 iso 1 dist 7.50424 14.7028 7.46434 6.88707 8.41436 13.0285 13.0543 6.16063 4.21173 11.3297 numMergedOcc 0
32 mol 234 unq 1 iso 0 dist 7.46434 14.7028 7.50424 13.9912 8.92474 8.96936 4.21173 6.16063 13.0543 10.2563 numMergedOcc 0
33 mol 234 unq 1 iso 1 dist 7.50424 14.7028 7.46434 8.96936 8.92474 13.9912 13.0543 6.16063 4.21173 10.2563 numMergedOcc 0
34 mol 235 unq 0 iso 0 dist 9.11256 13.6805 7.08539 6.84447 5.4638 7.38431 14.9183 9.58736 4.28284 9.66021 numMergedOcc 0
35 mol 235 unq 0 iso 1 dist 7.08539 13.6805 9.11256 7.38431 5.4638 6.84447 4.28284 9.58736 14.9183 9.66021 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 9.66555 5.15729 8.67205 12.2428 6.22714 8.66185 8.92175 7.49471 5.94371 5.17471 numMergedOcc 0
37 mol 238 unq 0 iso 1 dist 8.67205 5.15729 9.66555 8.66185 6.22714 12.2428 5.94371 7.49471 8.92175 5.17471 numMergedOcc 0
38 mol 249 unq 0 iso 0 dist 6.37672 4.32316 8.94023 9.07501 7.57994 9.53929 10.4294 8.83735 9.10124 5.23473 numMergedOcc 0
39 mol 249 unq 0 iso 1 dist 8.94023 4.32316 6.37672 9.53929 7.57994 9.07501 9.10124 8.83735 10.4294 5.23473 numMergedOcc 0
40 mol 249 unq 1 iso 0 dist 6.37672 4.32316 8.94023 4.24014 6.18582 5.36989 10.4294 8.83735 9.10124 7.38675 numMergedOcc 0
41 mol 249 unq 1 iso 1 dist 8.94023 4.32316 6.37672 5.36989 6.18582 4.24014 9.10124 8.83735 10.4294 7.38675 numMergedOcc 0
42 mol 253 unq 0 iso 0 dist 5.89502 7.05365 7.15815 9.25001 9.02271 4.93871 11.889 7.19465 8.75798 7.92528 numMergedOcc 0
43 mol 253 unq 0 iso 1 dist 7.15815 7.05365 5.89502 4.93871 9.02271 9.25001 8.75798 7.19465 11.889 7.92528 numMergedOcc 0
