0 mol 24 unq 0 iso 0 dist 9.78903 7.70779 6.01284 11.2286 5.78532 4.82556 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.78903 7.70779 6.01284 13.8528 8.49709 6.25108 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 5.22014 7.12394 7.96195 4.98286 4.44526 9.22115 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 5.22014 7.12394 7.96195 12.988 9.586 9.15493 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 6.64721 7.75417 7.56029 8.92159 6.21128 4.85777 numMergedOcc 0
5 mol 41 unq 1 iso 0 dist 6.64721 7.75417 7.56029 6.87608 9.57024 4.02147 numMergedOcc 0
6 mol 41 unq 2 iso 0 dist 9.36169 6.70837 7.56029 6.17678 6.21128 4.85777 numMergedOcc 0
7 mol 41 unq 3 iso 0 dist 9.36169 6.70837 7.56029 4.28783 9.57024 4.02147 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.61144 7.76627 6.98037 5.60623 6.59716 8.67827 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 6.13521 7.76627 6.9223 5.60623 6.87506 8.67827 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 6.13521 10.0556 7.0561 5.60623 6.87506 13.0818 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 9.43355 3.74136 7.8435 17.826 9.19977 15.8624 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 9.43355 3.74136 7.8435 16.0131 7.28831 14.7862 numMergedOcc 0
13 mol 93 unq 2 iso 0 dist 9.43355 3.74136 7.8435 11.7408 9.71411 9.42916 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 5.44426 10.2492 8.75597 14.3798 9.84703 8.02554 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 5.44426 10.2492 8.75597 9.0917 4.62494 11.2092 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 5.44426 11.6279 9.18457 14.3798 9.84703 16.2968 numMergedOcc 0
17 mol 98 unq 3 iso 0 dist 5.44426 11.6279 9.18457 9.0917 4.62494 8.26478 numMergedOcc 0
18 mol 98 unq 4 iso 0 dist 8.65429 12.6299 6.83746 14.1628 9.25444 14.6934 numMergedOcc 0
19 mol 98 unq 5 iso 0 dist 8.65429 12.6299 6.83746 16.4829 8.46823 11.4207 numMergedOcc 0
20 mol 98 unq 6 iso 0 dist 8.65429 16.0106 9.14707 14.1628 9.25444 16.2968 numMergedOcc 0
21 mol 98 unq 7 iso 0 dist 8.65429 16.0106 9.14707 16.4829 8.46823 8.26478 numMergedOcc 0
22 mol 105 unq 0 iso 0 dist 9.84347 12.571 7.44838 14.1459 7.77089 4.22355 numMergedOcc 0
23 mol 112 unq 0 iso 0 dist 5.80831 8.169 5.43933 6.84726 7.67238 5.91698 numMergedOcc 0
24 mol 158 unq 0 iso 0 dist 6.68721 4.19444 6.11331 6.83901 9.97968 10.8263 numMergedOcc 0
25 mol 159 unq 0 iso 0 dist 9.31829 6.02267 6.07821 10.1415 9.35202 7.97232 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 8.28282 6.63507 8.31881 5.39899 6.88127 6.16503 numMergedOcc 0
27 mol 212 unq 0 iso 0 dist 5.10392 6.12126 5.50658 10.0809 9.10288 12.8059 numMergedOcc 0
28 mol 212 unq 1 iso 0 dist 5.10392 6.12126 5.50658 6.27773 6.19798 10.7914 numMergedOcc 0
29 mol 212 unq 2 iso 0 dist 5.10392 6.12126 5.50658 4.3827 7.24895 10.2513 numMergedOcc 0
30 mol 212 unq 3 iso 0 dist 5.10392 10.0463 9.10095 10.0809 9.10288 7.75271 numMergedOcc 0
31 mol 212 unq 4 iso 0 dist 5.10392 10.0463 9.10095 6.27773 6.19798 4.01146 numMergedOcc 0
32 mol 212 unq 5 iso 0 dist 5.10392 10.0463 9.10095 4.3827 7.24895 7.17538 numMergedOcc 0
33 mol 212 unq 6 iso 0 dist 5.10392 11.7712 9.22129 10.0809 9.10288 4.21442 numMergedOcc 0
34 mol 212 unq 7 iso 0 dist 5.10392 11.7712 9.22129 6.27773 6.19798 6.69225 numMergedOcc 0
35 mol 212 unq 8 iso 0 dist 5.10392 11.7712 9.22129 4.3827 7.24895 11.0496 numMergedOcc 0
36 mol 235 unq 0 iso 0 dist 9.42801 7.38159 9.11454 11.4437 8.97952 5.92143 numMergedOcc 0
37 mol 273 unq 0 iso 0 dist 7.05843 7.43418 5.4307 5.91547 5.61969 9.76492 numMergedOcc 0
38 mol 273 unq 1 iso 0 dist 7.05843 7.43418 5.4307 5.8152 9.0277 11.5256 numMergedOcc 0
