0 mol 24 unq 0 iso 0 dist 9.49404 14.0001 8.83657 8.74944 8.69288 6.50335 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.49404 14.0001 8.83657 4.80814 7.77964 10.0354 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.49404 10.5205 6.74914 8.74944 8.69288 3.79072 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 9.49404 10.5205 6.74914 4.80814 7.77964 6.08283 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 7.61802 5.15167 5.51172 9.79566 7.01952 4.71262 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 7.61802 5.15167 5.51172 8.89606 4.58552 4.28439 numMergedOcc 0
6 mol 34 unq 2 iso 0 dist 8.87762 7.4142 7.93454 12.2504 7.01952 12.5404 numMergedOcc 0
7 mol 34 unq 3 iso 0 dist 8.21762 7.4142 9.06898 12.2504 4.58552 12.5404 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 5.65006 4.63832 8.25047 10.0759 9.08825 11.5226 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 8.17687 5.60895 7.65917 4.9889 7.20211 6.55929 numMergedOcc 0
10 mol 89 unq 0 iso 0 dist 8.54514 6.18864 7.06277 13.6511 8.05579 12.0097 numMergedOcc 0
11 mol 105 unq 0 iso 0 dist 7.85265 10.4634 9.84347 12.8099 9.17843 9.34708 numMergedOcc 0
12 mol 107 unq 0 iso 0 dist 8.2411 12.2324 8.50257 4.11617 6.11492 10.6714 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 7.44523 14.0181 9.22792 8.84505 5.67168 5.44287 numMergedOcc 0
14 mol 206 unq 0 iso 0 dist 8.91548 6.87757 9.7713 4.10207 9.95026 4.05534 numMergedOcc 0
15 mol 206 unq 1 iso 0 dist 8.91548 6.87757 9.7713 6.97629 9.09594 5.22561 numMergedOcc 0
16 mol 233 unq 0 iso 0 dist 7.79426 5.09438 9.79864 4.12865 9.01338 5.47357 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 7.42359 6.96883 8.8602 5.69077 8.30024 3.98086 numMergedOcc 0
18 mol 243 unq 1 iso 0 dist 7.42359 6.96883 8.8602 9.70906 8.20943 4.02386 numMergedOcc 0
19 mol 243 unq 2 iso 0 dist 7.42359 5.23854 7.13476 5.69077 8.30024 4.03312 numMergedOcc 0
20 mol 243 unq 3 iso 0 dist 7.42359 5.23854 7.13476 9.70906 8.20943 9.0802 numMergedOcc 0
21 mol 243 unq 4 iso 0 dist 7.42359 13.6058 9.49016 5.69077 8.30024 12.1329 numMergedOcc 0
22 mol 243 unq 5 iso 0 dist 7.42359 13.6058 9.49016 9.70906 8.20943 6.41173 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 6.66483 6.52322 8.22717 5.58851 5.02349 4.30046 numMergedOcc 0
24 mol 279 unq 1 iso 0 dist 6.66483 6.52322 8.22717 8.15975 9.19322 5.29396 numMergedOcc 0
25 mol 279 unq 2 iso 0 dist 6.66483 11.2974 8.43409 5.58851 5.02349 8.90689 numMergedOcc 0
26 mol 279 unq 3 iso 0 dist 6.66483 11.2974 8.43409 8.15975 9.19322 5.61454 numMergedOcc 0
27 mol 279 unq 4 iso 0 dist 5.52111 4.84534 8.22717 4.84196 5.02349 4.30046 numMergedOcc 0
28 mol 279 unq 5 iso 0 dist 5.52111 4.84534 8.22717 4.98931 9.19322 5.29396 numMergedOcc 0
29 mol 279 unq 6 iso 0 dist 5.52111 4.0763 8.43409 4.84196 5.02349 8.90689 numMergedOcc 0
30 mol 279 unq 7 iso 0 dist 5.52111 4.0763 8.43409 4.98931 9.19322 5.61454 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 8.51266 7.39939 9.18386 6.03672 7.89938 6.59125 numMergedOcc 0
