0 mol 32 unq 0 iso 0 dist 7.98414 9.16481 13.2652 8.35776 10.8132 5.33785 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 8.95848 8.14006 3.94504 5.23167 5.85606 5.87787 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 7.54919 7.56 5.76452 6.29801 5.88927 3.07021 numMergedOcc 0
3 mol 107 unq 0 iso 0 dist 8.92347 8.2411 3.79393 4.99934 8.49625 5.88785 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 6.65318 5.15951 7.60413 4.30961 4.0719 3.54756 numMergedOcc 0
5 mol 168 unq 0 iso 0 dist 8.80059 8.96534 16.2709 8.47439 3.73181 14.2042 numMergedOcc 0
6 mol 168 unq 1 iso 0 dist 8.80059 8.65328 12.6805 8.47439 3.73181 10.919 numMergedOcc 0
7 mol 168 unq 2 iso 0 dist 8.80059 5.69346 7.61798 8.47439 3.73181 6.65321 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 8.53734 7.87612 11.4427 6.80203 8.77204 3.52721 numMergedOcc 0
9 mol 171 unq 1 iso 0 dist 6.08141 5.98495 4.88147 8.00826 8.77204 8.19592 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 8.96031 9.56218 6.3369 7.82717 14.0517 13.8612 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 8.96031 9.56218 6.3369 8.19926 16.0263 13.9771 numMergedOcc 0
12 mol 186 unq 2 iso 0 dist 8.96031 9.56218 6.3369 9.02402 4.4787 3.2635 numMergedOcc 0
13 mol 186 unq 3 iso 0 dist 8.96031 8.30899 8.54288 7.82717 14.0517 12.9254 numMergedOcc 0
14 mol 186 unq 4 iso 0 dist 8.96031 8.30899 8.54288 8.19926 16.0263 11.6544 numMergedOcc 0
15 mol 186 unq 5 iso 0 dist 8.96031 8.30899 8.54288 9.02402 4.4787 4.9849 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 8.65088 9.48525 10.3327 7.22151 3.87855 12.315 numMergedOcc 0
17 mol 257 unq 0 iso 0 dist 9.34175 7.57749 8.56997 8.71617 3.96862 9.9335 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 9.43704 8.34536 6.44203 8.86773 9.10894 3.04079 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 9.43704 8.34536 6.44203 8.95095 7.26991 6.41309 numMergedOcc 0
20 mol 258 unq 2 iso 0 dist 7.41653 8.34536 12.4315 8.86773 13.163 3.04079 numMergedOcc 0
21 mol 258 unq 3 iso 0 dist 7.41653 8.34536 12.4315 8.95095 14.0247 6.41309 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 7.23618 7.97307 9.07649 7.13397 4.07425 8.04546 numMergedOcc 0
23 mol 260 unq 1 iso 0 dist 7.23618 7.97307 9.07649 5.33278 9.36278 3.68866 numMergedOcc 0
24 mol 260 unq 2 iso 0 dist 7.23618 8.52702 14.885 7.13397 4.07425 15.6308 numMergedOcc 0
25 mol 260 unq 3 iso 0 dist 7.23618 8.52702 14.885 5.33278 9.36278 10.6938 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 6.99089 8.6959 12.359 7.51951 4.72338 12.9145 numMergedOcc 0
27 mol 283 unq 0 iso 0 dist 8.2053 5.31969 3.97454 7.58381 6.1459 3.34167 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 5.54272 8.51266 9.83556 7.61675 3.60378 12.6536 numMergedOcc 0
