0 mol 15 unq 0 iso 0 dist 5.94245 5.88932 6.42748 10.9444 7.11548 6.60595 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.67696 5.92191 7.33768 10.1372 10.6504 8.0319 numMergedOcc 0
2 mol 65 unq 0 iso 0 dist 7.31505 9.49186 7.90294 12.8818 5.82003 9.16749 numMergedOcc 0
3 mol 91 unq 0 iso 0 dist 7.42828 7.45926 9.30539 8.18876 11.1037 7.03536 numMergedOcc 0
4 mol 91 unq 1 iso 0 dist 5.98441 5.55005 9.30539 5.51155 11.1037 7.03536 numMergedOcc 0
5 mol 91 unq 2 iso 0 dist 5.45873 9.57561 9.30539 8.29601 11.1037 7.03536 numMergedOcc 0
6 mol 91 unq 3 iso 0 dist 5.61819 5.55005 9.01176 5.51155 4.43042 7.03536 numMergedOcc 0
7 mol 91 unq 4 iso 0 dist 6.97995 9.57561 9.01176 8.29601 4.43042 7.03536 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 9.32181 10.6579 6.60933 13.2001 6.25986 9.64641 numMergedOcc 0
9 mol 109 unq 1 iso 0 dist 6.45174 6.24368 7.02927 14.011 14.3991 9.64641 numMergedOcc 0
10 mol 109 unq 2 iso 0 dist 8.46446 6.24368 6.60933 14.011 6.25986 9.64641 numMergedOcc 0
11 mol 109 unq 3 iso 0 dist 8.70427 7.32041 7.02927 14.2608 14.3991 9.64641 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 9.40308 7.31538 7.70232 14.4334 10.8848 9.32858 numMergedOcc 0
13 mol 117 unq 1 iso 0 dist 8.00497 7.31538 7.4671 14.4334 9.26317 9.32858 numMergedOcc 0
14 mol 182 unq 0 iso 0 dist 9.38111 11.8631 7.09394 12.8836 4.49268 9.06702 numMergedOcc 0
15 mol 226 unq 0 iso 0 dist 8.22952 6.25661 8.80683 5.44698 4.66376 9.30975 numMergedOcc 0
16 mol 226 unq 1 iso 0 dist 8.22952 9.16105 6.11704 5.44698 4.66376 9.14028 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 6.62283 10.2134 7.57812 12.6304 6.12869 8.6771 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 8.60978 10.2134 8.69104 12.6304 9.81372 8.6771 numMergedOcc 0
19 mol 244 unq 0 iso 0 dist 9.28249 9.17618 5.50492 10.7691 4.89551 9.21656 numMergedOcc 0
20 mol 249 unq 0 iso 0 dist 6.7282 8.71871 5.48118 14.6696 9.55793 6.26142 numMergedOcc 0
21 mol 271 unq 0 iso 0 dist 6.70662 4.75339 9.70714 10.5057 11.0964 9.42899 numMergedOcc 0
22 mol 278 unq 0 iso 0 dist 8.91606 9.04802 6.62841 13.5896 10.7698 6.84604 numMergedOcc 0
