0 mol 25 unq 0 iso 0 dist 9.67955 7.0928 8.51263 6.32132 12.4066 5.04899 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.25761 9.15677 4.52042 16.4682 10.9309 8.34347 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.02604 9.15677 11.1182 16.4682 19.2753 8.34347 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 7.0835 9.16827 8.03007 7.23774 10.6262 5.73819 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 7.0835 9.16827 8.03007 12.092 13.6848 6.20293 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 7.0835 9.16827 8.03007 10.7423 13.4803 8.93915 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 7.34695 7.51978 5.65405 10.6355 14.4402 9.5589 numMergedOcc 0
7 mol 54 unq 1 iso 0 dist 7.34695 7.51978 5.65405 6.43082 10.5929 6.83299 numMergedOcc 0
8 mol 54 unq 2 iso 0 dist 7.34695 7.51978 5.65405 11.7347 6.54183 8.10861 numMergedOcc 0
9 mol 66 unq 0 iso 0 dist 8.2753 7.69019 12.5152 5.89221 10.6642 8.96624 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 8.37011 7.65229 7.97204 5.43987 13.3796 9.60462 numMergedOcc 0
11 mol 112 unq 1 iso 0 dist 8.37011 7.65229 7.97204 9.7695 14.5054 7.45389 numMergedOcc 0
12 mol 125 unq 0 iso 0 dist 9.99265 8.38646 12.2648 6.5815 14.2328 8.62381 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 6.07118 6.01118 9.74132 9.73148 12.3456 6.69288 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 6.63046 6.07676 5.32859 6.05039 11.0615 8.03334 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 6.50055 6.96824 10.4974 8.76337 14.9843 7.63312 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 6.50055 9.25528 5.65167 18.2027 14.2227 9.1374 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 6.50055 9.25528 5.65167 11.4901 10.1105 5.98885 numMergedOcc 0
18 mol 181 unq 4 iso 0 dist 6.50055 9.25528 5.65167 11.9545 13.0338 9.15386 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 9.68994 6.83122 5.68711 9.3424 13.6328 9.65138 numMergedOcc 0
20 mol 214 unq 1 iso 0 dist 9.68994 6.83122 5.68711 12.2622 11.6154 7.14453 numMergedOcc 0
21 mol 214 unq 2 iso 0 dist 9.68994 6.83122 5.68711 6.75833 11.5105 8.85478 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 5.2059 7.14277 5.60111 4.02914 5.47561 7.21333 numMergedOcc 0
23 mol 231 unq 0 iso 0 dist 9.83844 8.17766 6.39215 11.3675 12.9999 7.37839 numMergedOcc 0
24 mol 231 unq 1 iso 0 dist 9.83844 8.17766 6.39215 12.5238 12.3939 8.40182 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 7.16671 7.13194 9.99053 9.05069 11.3262 5.72887 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 5.42362 7.80166 9.99053 6.77788 11.3262 5.72887 numMergedOcc 0
27 mol 253 unq 0 iso 0 dist 8.0425 5.76077 7.07333 9.0081 10.7144 9.02271 numMergedOcc 0
28 mol 253 unq 1 iso 0 dist 7.0141 7.0247 7.07333 10.9027 10.7144 9.02271 numMergedOcc 0
29 mol 272 unq 0 iso 0 dist 9.52832 7.22438 6.09229 10.3544 14.1819 8.33638 numMergedOcc 0
30 mol 272 unq 1 iso 0 dist 9.52832 7.66615 7.86199 11.4664 17.4381 9.97651 numMergedOcc 0
31 mol 272 unq 2 iso 0 dist 9.52832 7.66615 7.86199 10.3544 14.1819 8.46116 numMergedOcc 0
32 mol 294 unq 0 iso 0 dist 8.70757 7.1984 5.57044 6.23921 5.18789 8.15665 numMergedOcc 0
