0 mol 13 unq 0 iso 0 dist 5.37391 7.55293 5.6142 4.17261 8.47514 9.63135 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 5.37391 7.55293 5.6142 6.68749 7.39086 10.0455 numMergedOcc 0
2 mol 13 unq 2 iso 0 dist 5.37391 9.78608 9.20629 4.17261 8.47514 13.3316 numMergedOcc 0
3 mol 13 unq 3 iso 0 dist 5.37391 9.78608 9.20629 6.68749 7.39086 15.4274 numMergedOcc 0
4 mol 20 unq 0 iso 0 dist 8.45034 7.68085 4.11329 13.3556 9.4228 13.3583 numMergedOcc 0
5 mol 27 unq 0 iso 0 dist 9.10646 9.76721 13.8923 4.91484 8.8018 13.3976 numMergedOcc 0
6 mol 27 unq 1 iso 0 dist 7.95705 6.7087 9.87826 10.4607 8.8018 15.967 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 7.70787 9.57191 14.366 10.9651 5.62694 13.8676 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 6.64933 8.67727 4.15267 4.0486 9.54952 11.4733 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 4.83495 5.11803 4.05115 6.88024 8.99376 7.37948 numMergedOcc 0
10 mol 91 unq 1 iso 0 dist 5.11803 4.83495 4.05115 6.88024 7.37948 8.99376 numMergedOcc 0
11 mol 108 unq 0 iso 0 dist 9.10985 6.23711 4.00578 8.29763 9.13454 9.78493 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 9.13829 6.84082 6.32573 9.32263 8.5457 11.7989 numMergedOcc 0
13 mol 120 unq 1 iso 0 dist 9.13829 6.84082 6.32573 9.45514 6.7928 11.33 numMergedOcc 0
14 mol 120 unq 2 iso 0 dist 9.13829 6.84082 6.32573 11.5746 7.59189 12.0993 numMergedOcc 0
15 mol 120 unq 3 iso 0 dist 5.90276 8.08194 6.32573 5.95039 8.5457 11.7989 numMergedOcc 0
16 mol 120 unq 4 iso 0 dist 5.90276 8.08194 6.32573 4.09501 6.7928 11.33 numMergedOcc 0
17 mol 120 unq 5 iso 0 dist 5.90276 8.08194 6.32573 6.81436 7.59189 12.0993 numMergedOcc 0
18 mol 185 unq 0 iso 0 dist 6.70069 6.83972 8.17477 4.53126 8.78799 11.351 numMergedOcc 0
19 mol 185 unq 1 iso 0 dist 9.52532 7.6878 8.17477 9.27932 8.78799 11.351 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 9.05875 7.56376 6.40038 7.65735 7.06087 11.0281 numMergedOcc 0
