0 mol 7 unq 0 iso 0 dist 9.26914 18.2699 9.67164 20.9442 12.2041 5.99459 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 9.06222 11.9427 6.56356 19.3136 10.9495 9.01112 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 9.06222 11.9427 6.56356 16.598 8.09332 7.62333 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 8.59353 13.914 6.9362 14.7579 8.99811 5.99857 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 7.60252 8.34938 7.12321 12.4898 5.36766 9.74228 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 7.60252 8.34938 7.12321 13.3874 8.24309 6.21799 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.83265 13.7606 5.5087 16.8384 8.07446 5.61588 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.83265 12.8912 6.08682 16.8384 8.07446 7.83244 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 7.4804 9.23259 6.72869 11.9515 10.2879 9.85905 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 9.80802 9.93158 6.85523 13.6101 7.19663 8.65848 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 6.89004 4.02602 7.80898 11.306 12.1547 7.51139 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 6.12086 14.1258 8.27883 11.8585 6.59884 7.7152 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 7.93544 11.9393 8.27883 12.7348 6.59884 7.7152 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 7.96917 8.79725 9.77497 16.0583 17.2949 7.86666 numMergedOcc 0
14 mol 109 unq 1 iso 0 dist 7.70586 4.89867 9.89083 7.86754 7.15843 8.52024 numMergedOcc 0
15 mol 109 unq 2 iso 0 dist 7.86754 4.89867 8.52024 7.70586 7.15843 9.89083 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 9.23352 8.3383 9.02706 5.43031 4.8896 8.47988 numMergedOcc 0
17 mol 112 unq 1 iso 0 dist 9.23352 5.07427 9.39168 5.43031 4.8896 8.0427 numMergedOcc 0
18 mol 112 unq 2 iso 0 dist 5.43031 8.3383 8.47988 9.23352 4.8896 9.02706 numMergedOcc 0
19 mol 112 unq 3 iso 0 dist 5.43031 5.07427 8.0427 9.23352 4.8896 9.39168 numMergedOcc 0
20 mol 132 unq 0 iso 0 dist 8.54009 11.0981 6.89918 12.5891 4.35917 7.89457 numMergedOcc 0
21 mol 142 unq 0 iso 0 dist 6.90378 9.67929 7.81207 7.01955 5.32922 6.14151 numMergedOcc 0
22 mol 142 unq 1 iso 0 dist 7.01955 9.67929 6.14151 6.90378 5.32922 7.81207 numMergedOcc 0
23 mol 197 unq 0 iso 0 dist 9.24777 15.546 9.10817 12.1578 5.43601 6.86828 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 9.07855 11.2726 5.85442 17.0564 9.98105 6.9899 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 9.07855 9.26271 6.95511 9.85796 6.96053 9.46361 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 8.61945 15.9144 8.9682 17.6016 11.8268 9.57499 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 8.61945 15.9144 8.9682 12.0954 7.08227 5.46926 numMergedOcc 0
28 mol 277 unq 2 iso 0 dist 8.61945 13.156 6.92711 12.0954 7.08227 5.13913 numMergedOcc 0
