0 mol 7 unq 0 iso 0 dist 7.32392 10.5949 6.7985 5.59295 6.44736 6.14349 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.32392 5.59295 6.44736 10.5949 6.7985 6.14349 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.20058 13.4836 8.60554 11.9824 8.44664 14.1496 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 8.20058 11.9824 8.44664 13.4836 8.60554 14.1496 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.20058 13.4836 8.60554 9.04355 9.44691 9.62033 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 8.20058 9.04355 9.44691 13.4836 8.60554 9.62033 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.20058 11.9824 8.44664 9.04355 9.44691 10.4263 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 8.20058 9.04355 9.44691 11.9824 8.44664 10.4263 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 5.70279 10.838 8.30845 11.4018 8.76378 13.3504 numMergedOcc 0
9 mol 100 unq 0 iso 1 dist 5.70279 11.4018 8.76378 10.838 8.30845 13.3504 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 9.08014 10.3234 8.8822 9.4626 9.66219 4.09459 numMergedOcc 0
11 mol 113 unq 0 iso 1 dist 9.08014 9.4626 9.66219 10.3234 8.8822 4.09459 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.62648 9.25614 6.52773 5.53673 9.23858 12.3703 numMergedOcc 0
13 mol 119 unq 0 iso 1 dist 8.62648 5.53673 9.23858 9.25614 6.52773 12.3703 numMergedOcc 0
14 mol 125 unq 0 iso 0 dist 6.03557 6.46489 7.73435 8.27647 9.3778 4.38093 numMergedOcc 0
15 mol 125 unq 0 iso 1 dist 6.03557 8.27647 9.3778 6.46489 7.73435 4.38093 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 6.23966 6.47522 6.28565 5.85167 7.58957 7.91034 numMergedOcc 0
17 mol 129 unq 0 iso 1 dist 6.23966 5.85167 7.58957 6.47522 6.28565 7.91034 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 8.99949 10.5805 8.70296 8.98062 9.25558 14.5627 numMergedOcc 0
19 mol 131 unq 0 iso 1 dist 8.99949 8.98062 9.25558 10.5805 8.70296 14.5627 numMergedOcc 0
20 mol 156 unq 0 iso 0 dist 9.19499 5.02458 9.44367 15.8724 9.47433 16.7026 numMergedOcc 0
21 mol 156 unq 0 iso 1 dist 9.19499 15.8724 9.47433 5.02458 9.44367 16.7026 numMergedOcc 0
22 mol 159 unq 0 iso 0 dist 7.47975 4.02361 9.17787 9.90351 8.4858 7.73341 numMergedOcc 0
23 mol 159 unq 0 iso 1 dist 7.47975 9.90351 8.4858 4.02361 9.17787 7.73341 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 7.13441 8.99392 8.24693 5.68701 6.71356 3.98338 numMergedOcc 0
25 mol 171 unq 0 iso 1 dist 7.13441 5.68701 6.71356 8.99392 8.24693 3.98338 numMergedOcc 0
26 mol 174 unq 0 iso 0 dist 6.04817 10.981 8.87569 13.6211 9.87122 4.17687 numMergedOcc 0
27 mol 174 unq 0 iso 1 dist 6.04817 13.6211 9.87122 10.981 8.87569 4.17687 numMergedOcc 0
28 mol 212 unq 0 iso 0 dist 9.47932 9.63106 9.74144 10.6561 8.69988 12.5482 numMergedOcc 0
29 mol 212 unq 0 iso 1 dist 9.47932 10.6561 8.69988 9.63106 9.74144 12.5482 numMergedOcc 0
30 mol 212 unq 1 iso 0 dist 9.47932 9.63106 9.74144 15.0782 8.55903 15.0034 numMergedOcc 0
31 mol 212 unq 1 iso 1 dist 9.47932 15.0782 8.55903 9.63106 9.74144 15.0034 numMergedOcc 0
32 mol 212 unq 2 iso 0 dist 9.47932 9.63106 9.74144 7.56072 7.15603 5.24023 numMergedOcc 0
33 mol 212 unq 2 iso 1 dist 9.47932 7.56072 7.15603 9.63106 9.74144 5.24023 numMergedOcc 0
34 mol 212 unq 1 iso 0 dist 9.47932 10.6561 8.69988 15.0782 8.55903 6.18191 numMergedOcc 0
35 mol 212 unq 1 iso 1 dist 9.47932 15.0782 8.55903 10.6561 8.69988 6.18191 numMergedOcc 0
36 mol 212 unq 2 iso 0 dist 9.47932 10.6561 8.69988 7.56072 7.15603 7.34372 numMergedOcc 0
37 mol 212 unq 2 iso 1 dist 9.47932 7.56072 7.15603 10.6561 8.69988 7.34372 numMergedOcc 0
38 mol 212 unq 2 iso 0 dist 9.47932 15.0782 8.55903 7.56072 7.15603 10.7093 numMergedOcc 0
39 mol 212 unq 2 iso 1 dist 9.47932 7.56072 7.15603 15.0782 8.55903 10.7093 numMergedOcc 0
40 mol 222 unq 0 iso 0 dist 5.47561 10.3328 7.67576 15.0445 9.82371 11.3283 numMergedOcc 0
41 mol 222 unq 0 iso 1 dist 5.47561 15.0445 9.82371 10.3328 7.67576 11.3283 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 5.67917 5.11183 7.57812 6.32646 8.69104 6.25098 numMergedOcc 0
43 mol 238 unq 0 iso 1 dist 5.67917 6.32646 8.69104 5.11183 7.57812 6.25098 numMergedOcc 0
