0 mol 5 unq 0 iso 0 dist 7.64048 5.17677 5.63302 8.12453 4.55639 3.50411 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 7.64048 8.12453 4.55639 5.17677 5.63302 3.50411 numMergedOcc 0
2 mol 5 unq 1 iso 0 dist 7.64048 5.17677 5.63302 5.58988 5.70163 4.84696 numMergedOcc 0
3 mol 5 unq 1 iso 1 dist 7.64048 5.58988 5.70163 5.17677 5.63302 4.84696 numMergedOcc 0
4 mol 5 unq 1 iso 0 dist 7.64048 8.12453 4.55639 5.58988 5.70163 5.30421 numMergedOcc 0
5 mol 5 unq 1 iso 1 dist 7.64048 5.58988 5.70163 8.12453 4.55639 5.30421 numMergedOcc 0
6 mol 17 unq 0 iso 0 dist 5.4572 10.374 9.26171 9.04835 8.70761 3.47257 numMergedOcc 0
7 mol 17 unq 0 iso 1 dist 5.4572 9.04835 8.70761 10.374 9.26171 3.47257 numMergedOcc 0
8 mol 20 unq 0 iso 0 dist 5.88082 8.46939 8.65986 7.27778 9.39462 3.39356 numMergedOcc 0
9 mol 20 unq 0 iso 1 dist 5.88082 7.27778 9.39462 8.46939 8.65986 3.39356 numMergedOcc 0
10 mol 20 unq 1 iso 0 dist 5.35469 8.46939 9.74724 7.27778 9.13347 3.39356 numMergedOcc 0
11 mol 20 unq 1 iso 1 dist 5.35469 7.27778 9.13347 8.46939 9.74724 3.39356 numMergedOcc 0
12 mol 27 unq 0 iso 0 dist 6.68662 5.88339 9.52155 4.74995 9.16319 5.0308 numMergedOcc 0
13 mol 27 unq 0 iso 1 dist 6.68662 4.74995 9.16319 5.88339 9.52155 5.0308 numMergedOcc 0
14 mol 27 unq 1 iso 0 dist 9.11084 15.6378 9.52155 15.8581 9.16319 5.0308 numMergedOcc 0
15 mol 27 unq 1 iso 1 dist 9.11084 15.8581 9.16319 15.6378 9.52155 5.0308 numMergedOcc 0
16 mol 28 unq 0 iso 0 dist 9.14653 12.8342 8.96154 14.4187 8.90935 3.70336 numMergedOcc 0
17 mol 28 unq 0 iso 1 dist 9.14653 14.4187 8.90935 12.8342 8.96154 3.70336 numMergedOcc 0
18 mol 123 unq 0 iso 0 dist 9.43033 5.04406 8.20345 8.75597 5.38148 8.77423 numMergedOcc 0
19 mol 123 unq 0 iso 1 dist 9.43033 8.75597 5.38148 5.04406 8.20345 8.77423 numMergedOcc 0
20 mol 123 unq 1 iso 0 dist 9.93167 7.09872 8.20345 6.36283 5.38148 8.77423 numMergedOcc 0
21 mol 123 unq 1 iso 1 dist 9.93167 6.36283 5.38148 7.09872 8.20345 8.77423 numMergedOcc 0
22 mol 176 unq 0 iso 0 dist 8.8556 7.95619 5.60333 4.99447 5.58647 3.17744 numMergedOcc 0
23 mol 176 unq 0 iso 1 dist 8.8556 4.99447 5.58647 7.95619 5.60333 3.17744 numMergedOcc 0
24 mol 176 unq 1 iso 0 dist 8.8556 7.95619 5.60333 5.46526 8.5733 5.47761 numMergedOcc 0
25 mol 176 unq 1 iso 1 dist 8.8556 5.46526 8.5733 7.95619 5.60333 5.47761 numMergedOcc 0
26 mol 176 unq 1 iso 0 dist 8.8556 4.99447 5.58647 5.46526 8.5733 4.75543 numMergedOcc 0
27 mol 176 unq 1 iso 1 dist 8.8556 5.46526 8.5733 4.99447 5.58647 4.75543 numMergedOcc 0
28 mol 252 unq 0 iso 0 dist 6.35781 4.59672 9.84342 11.2225 8.63893 15.1028 numMergedOcc 0
29 mol 252 unq 0 iso 1 dist 6.35781 11.2225 8.63893 4.59672 9.84342 15.1028 numMergedOcc 0
30 mol 254 unq 0 iso 0 dist 8.39401 3.68599 7.09397 10.459 6.56151 7.17324 numMergedOcc 0
31 mol 254 unq 0 iso 1 dist 8.39401 10.459 6.56151 3.68599 7.09397 7.17324 numMergedOcc 0
32 mol 254 unq 1 iso 0 dist 8.39401 3.68599 7.09397 11.1049 8.3417 7.48499 numMergedOcc 0
33 mol 254 unq 1 iso 1 dist 8.39401 11.1049 8.3417 3.68599 7.09397 7.48499 numMergedOcc 0
34 mol 254 unq 1 iso 0 dist 8.39401 10.459 6.56151 11.1049 8.3417 2.67738 numMergedOcc 0
35 mol 254 unq 1 iso 1 dist 8.39401 11.1049 8.3417 10.459 6.56151 2.67738 numMergedOcc 0
36 mol 283 unq 0 iso 0 dist 5.34771 5.91899 9.74797 8.2722 9.90494 13.4236 numMergedOcc 0
37 mol 283 unq 0 iso 1 dist 5.34771 8.2722 9.90494 5.91899 9.74797 13.4236 numMergedOcc 0
38 mol 283 unq 1 iso 0 dist 9.40332 8.32685 9.74797 5.93642 9.90494 13.4236 numMergedOcc 0
39 mol 283 unq 1 iso 1 dist 9.40332 5.93642 9.90494 8.32685 9.74797 13.4236 numMergedOcc 0
