0 mol 17 unq 0 iso 0 dist 9.55169 10.6611 8.48453 5.57445 6.53817 5.21083 numMergedOcc 0
1 mol 51 unq 0 iso 0 dist 5.67627 7.59524 7.7625 5.44083 9.06397 10.401 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 8.40871 15.2043 7.80757 15.4995 9.99029 8.73 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 8.40871 6.23394 9.2835 15.4995 9.99029 11.9616 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 8.40871 7.51473 5.02591 15.4995 9.99029 8.07212 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 8.5778 5.11778 6.99089 15.9627 7.97208 12.6734 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 9.03233 6.47184 6.7319 10.1235 8.11202 5.10341 numMergedOcc 0
7 mol 144 unq 0 iso 0 dist 8.6353 4.7834 6.90626 9.10142 8.11591 6.38111 numMergedOcc 0
8 mol 204 unq 0 iso 0 dist 9.65951 9.46843 7.92766 6.79211 7.7292 3.96829 numMergedOcc 0
9 mol 204 unq 1 iso 0 dist 9.14829 14.3686 7.92766 12.0168 7.7292 3.96829 numMergedOcc 0
10 mol 214 unq 0 iso 0 dist 9.33638 15.8062 6.83122 4.51173 9.40003 16.1937 numMergedOcc 0
11 mol 214 unq 1 iso 0 dist 9.33638 15.8062 6.83122 16.1753 8.68385 4.16332 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 6.9028 14.2022 7.96424 14.1809 7.30244 4.36623 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 6.9028 14.2022 7.96424 14.7839 9.58343 7.60777 numMergedOcc 0
14 mol 220 unq 2 iso 0 dist 7.23901 13.7941 7.96424 12.5656 7.30244 4.36623 numMergedOcc 0
15 mol 220 unq 3 iso 0 dist 7.23901 13.7941 7.96424 11.0633 9.58343 7.60777 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 9.75753 15.0104 5.76077 12.5292 8.53729 9.07394 numMergedOcc 0
17 mol 253 unq 1 iso 0 dist 9.75753 15.0104 5.76077 8.23358 8.07341 11.6981 numMergedOcc 0
18 mol 253 unq 2 iso 0 dist 9.75753 10.5007 7.0247 12.5292 8.53729 14.7046 numMergedOcc 0
19 mol 253 unq 3 iso 0 dist 9.75753 10.5007 7.0247 8.23358 8.07341 12.0836 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 9.60619 17.3271 8.27977 10.5154 5.17586 8.89193 numMergedOcc 0
