0 mol 15 unq 0 iso 0 dist 9.29358 5.89412 6.19131 6.91314 9.51568 6.23015 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 8.21493 7.07399 6.33828 5.49251 10.1828 6.23015 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.78293 7.75618 6.2337 8.7083 10.1716 8.54034 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 8.23643 7.75618 14.4867 8.7083 16.2389 8.54034 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 6.20943 8.40416 11.4087 10.4416 14.7321 8.54034 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 7.82528 7.75618 11.4087 8.7083 14.7321 8.54034 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 9.75144 9.01567 13.2265 8.91183 16.8819 6.19899 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 9.75144 9.01567 13.2265 13.0212 18.4951 8.49709 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 9.75144 7.29868 13.719 8.91183 16.8819 6.61696 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 9.75144 7.29868 13.719 5.69214 11.8884 5.80953 numMergedOcc 0
10 mol 26 unq 0 iso 0 dist 8.82012 6.46104 4.98603 5.56139 5.84066 6.07276 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 9.58673 8.80614 8.88332 11.3019 15.8814 7.58739 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 9.58673 8.80614 8.88332 9.87158 15.7229 9.01564 numMergedOcc 0
13 mol 58 unq 2 iso 0 dist 9.58673 8.80614 8.88332 5.86526 12.8612 7.11065 numMergedOcc 0
14 mol 58 unq 3 iso 0 dist 8.63333 9.92355 12.0055 6.57389 13.8436 9.53438 numMergedOcc 0
15 mol 58 unq 4 iso 0 dist 9.64665 5.93884 5.27642 4.23671 13.4636 9.53438 numMergedOcc 0
16 mol 58 unq 5 iso 0 dist 8.89374 7.68678 12.0055 5.6823 13.8436 9.53438 numMergedOcc 0
17 mol 72 unq 0 iso 0 dist 6.77912 9.27838 4.67641 5.69391 5.4605 7.58875 numMergedOcc 0
18 mol 72 unq 1 iso 0 dist 6.77912 9.27838 4.67641 5.57624 8.94365 9.52749 numMergedOcc 0
19 mol 72 unq 2 iso 0 dist 6.77912 9.27838 4.67641 4.03844 6.53824 6.91169 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 6.58204 7.01812 10.0891 4.03277 10.259 6.59691 numMergedOcc 0
21 mol 100 unq 1 iso 0 dist 7.75343 8.30845 10.0891 6.23008 10.259 6.59691 numMergedOcc 0
22 mol 109 unq 0 iso 0 dist 5.87358 7.80523 6.89298 5.00433 9.74008 7.56755 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 9.80862 6.73586 4.95807 4.39676 9.56225 8.67537 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 8.43904 6.73586 7.39626 4.39676 6.13374 8.67537 numMergedOcc 0
25 mol 155 unq 0 iso 0 dist 9.87281 8.69157 7.6506 12.6999 13.5963 9.24038 numMergedOcc 0
26 mol 155 unq 1 iso 0 dist 9.38946 7.92304 9.50478 4.91785 7.29911 9.16358 numMergedOcc 0
27 mol 155 unq 2 iso 0 dist 7.39644 6.53347 6.40403 7.10286 5.36254 9.24038 numMergedOcc 0
28 mol 155 unq 3 iso 0 dist 7.36102 7.92304 5.50045 4.91785 5.36254 9.16358 numMergedOcc 0
29 mol 155 unq 4 iso 0 dist 8.65888 8.69157 4.40321 12.6999 12.6321 9.24038 numMergedOcc 0
30 mol 155 unq 5 iso 0 dist 7.70572 6.53347 4.40321 7.10286 12.6321 9.24038 numMergedOcc 0
31 mol 155 unq 6 iso 0 dist 8.27111 8.69157 6.00473 12.6999 14.7426 9.24038 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 6.93764 5.9176 5.60306 10.6474 10.9785 8.12266 numMergedOcc 0
33 mol 181 unq 1 iso 0 dist 6.93764 5.9176 5.60306 5.12833 10.9567 9.43306 numMergedOcc 0
34 mol 181 unq 2 iso 0 dist 6.93764 5.9176 5.60306 4.61184 11.187 8.59681 numMergedOcc 0
35 mol 181 unq 3 iso 0 dist 6.93764 6.41453 6.05477 5.93724 10.1634 5.99437 numMergedOcc 0
36 mol 181 unq 4 iso 0 dist 6.93764 6.41453 6.05477 5.12833 10.9567 8.4848 numMergedOcc 0
37 mol 181 unq 5 iso 0 dist 7.98142 5.94469 8.93991 5.42158 13.3069 8.06308 numMergedOcc 0
38 mol 181 unq 6 iso 0 dist 7.37327 5.94469 5.35588 5.42158 11.4308 8.06308 numMergedOcc 0
39 mol 181 unq 7 iso 0 dist 4.93785 9.39829 7.30555 5.71898 6.76746 5.99437 numMergedOcc 0
40 mol 181 unq 8 iso 0 dist 4.93785 9.39829 7.30555 5.83796 8.92098 8.4848 numMergedOcc 0
41 mol 182 unq 0 iso 0 dist 6.73313 6.73956 5.8726 4.88992 5.73635 8.62102 numMergedOcc 0
42 mol 184 unq 0 iso 0 dist 9.52936 6.42735 7.4793 4.08775 13.0813 7.81263 numMergedOcc 0
43 mol 194 unq 0 iso 0 dist 6.47873 8.65535 10.7231 10.0756 12.0979 4.19371 numMergedOcc 0
44 mol 194 unq 1 iso 0 dist 6.47873 8.65535 10.7231 16.4082 18.0358 9.71015 numMergedOcc 0
45 mol 194 unq 2 iso 0 dist 5.48258 8.29382 4.79043 5.97754 6.11135 8.64056 numMergedOcc 0
46 mol 194 unq 3 iso 0 dist 5.48258 6.72379 4.26755 4.66791 7.10155 9.00322 numMergedOcc 0
47 mol 194 unq 4 iso 0 dist 6.15769 8.29382 6.56076 5.97754 6.54481 8.64056 numMergedOcc 0
48 mol 194 unq 5 iso 0 dist 6.15769 6.72379 10.0315 4.66791 9.48418 9.00322 numMergedOcc 0
49 mol 195 unq 0 iso 0 dist 8.36117 9.26504 4.4994 6.04871 5.87439 6.22742 numMergedOcc 0
50 mol 195 unq 1 iso 0 dist 6.77578 9.26504 5.99784 6.04871 8.18059 6.22742 numMergedOcc 0
51 mol 222 unq 0 iso 0 dist 6.82208 7.67576 7.39748 6.84862 11.8745 8.43195 numMergedOcc 0
52 mol 222 unq 1 iso 0 dist 6.82208 7.67576 7.39748 9.53117 12.9858 8.23406 numMergedOcc 0
53 mol 232 unq 0 iso 0 dist 7.07392 8.50102 10.9886 9.74344 15.7309 9.9183 numMergedOcc 0
54 mol 234 unq 0 iso 0 dist 6.16063 7.32499 7.17691 13.1872 9.11572 7.77911 numMergedOcc 0
55 mol 235 unq 0 iso 0 dist 5.65339 6.21292 7.96337 10.5354 12.9537 7.39085 numMergedOcc 0
56 mol 235 unq 1 iso 0 dist 9.43058 9.21736 17.5445 11.3865 17.0835 7.39085 numMergedOcc 0
57 mol 274 unq 0 iso 0 dist 9.19234 9.45514 12.625 12.393 12.703 7.77765 numMergedOcc 0
58 mol 274 unq 1 iso 0 dist 9.19234 9.45514 12.625 8.87855 6.66172 9.65868 numMergedOcc 0
59 mol 274 unq 2 iso 0 dist 9.19234 6.39866 4.60275 8.87855 6.66172 8.60027 numMergedOcc 0
