0 mol 9 unq 0 iso 0 dist 9.8978 5.16141 6.26276 10.4202 7.35972 6.29049 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 6.26276 5.16141 9.8978 6.29049 7.35972 10.4202 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.8978 5.16141 6.26276 15.4091 9.93542 10.6101 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 6.26276 5.16141 9.8978 10.6101 9.93542 15.4091 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 7.95811 11.5504 8.40993 4.46394 7.46578 11.501 numMergedOcc 0
5 mol 11 unq 0 iso 1 dist 8.40993 11.5504 7.95811 11.501 7.46578 4.46394 numMergedOcc 0
6 mol 11 unq 1 iso 0 dist 7.95811 11.5504 8.40993 10.366 7.16561 5.91043 numMergedOcc 0
7 mol 11 unq 1 iso 1 dist 8.40993 11.5504 7.95811 5.91043 7.16561 10.366 numMergedOcc 0
8 mol 11 unq 2 iso 0 dist 8.23032 12.1836 8.22997 4.24301 7.90478 11.7321 numMergedOcc 0
9 mol 11 unq 2 iso 1 dist 8.22997 12.1836 8.23032 11.7321 7.90478 4.24301 numMergedOcc 0
10 mol 11 unq 3 iso 0 dist 8.23032 12.1836 8.22997 10.4568 7.16561 5.97265 numMergedOcc 0
11 mol 11 unq 3 iso 1 dist 8.22997 12.1836 8.23032 5.97265 7.16561 10.4568 numMergedOcc 0
12 mol 26 unq 0 iso 0 dist 8.99751 4.01506 9.30674 9.62452 7.35861 7.40218 numMergedOcc 0
13 mol 26 unq 0 iso 1 dist 9.30674 4.01506 8.99751 7.40218 7.35861 9.62452 numMergedOcc 0
14 mol 26 unq 1 iso 0 dist 8.99751 8.29396 8.25567 9.62452 7.35861 3.9882 numMergedOcc 0
15 mol 26 unq 1 iso 1 dist 8.25567 8.29396 8.99751 3.9882 7.35861 9.62452 numMergedOcc 0
16 mol 26 unq 1 iso 0 dist 9.30674 4.96832 8.25567 7.40218 7.35861 3.9882 numMergedOcc 0
17 mol 26 unq 1 iso 1 dist 8.25567 4.96832 9.30674 3.9882 7.35861 7.40218 numMergedOcc 0
18 mol 55 unq 0 iso 0 dist 6.66861 5.41839 6.72084 10.042 9.93096 12.1572 numMergedOcc 0
19 mol 55 unq 0 iso 1 dist 6.72084 5.41839 6.66861 12.1572 9.93096 10.042 numMergedOcc 0
20 mol 68 unq 0 iso 0 dist 7.07989 11.6093 9.77272 8.57904 6.74766 4.05011 numMergedOcc 0
21 mol 68 unq 0 iso 1 dist 9.77272 11.6093 7.07989 4.05011 6.74766 8.57904 numMergedOcc 0
22 mol 79 unq 0 iso 0 dist 8.17655 5.45052 9.78129 4.32712 8.03296 6.04442 numMergedOcc 0
23 mol 79 unq 0 iso 1 dist 9.78129 5.45052 8.17655 6.04442 8.03296 4.32712 numMergedOcc 0
24 mol 79 unq 1 iso 0 dist 8.17655 5.45052 9.78129 11.1935 9.26979 11.2226 numMergedOcc 0
25 mol 79 unq 1 iso 1 dist 9.78129 5.45052 8.17655 11.2226 9.26979 11.1935 numMergedOcc 0
26 mol 92 unq 0 iso 0 dist 7.11127 8.58474 6.37888 9.3668 5.50508 4.00884 numMergedOcc 0
27 mol 92 unq 0 iso 1 dist 6.37888 8.58474 7.11127 4.00884 5.50508 9.3668 numMergedOcc 0
28 mol 92 unq 1 iso 0 dist 7.11127 12.8708 7.11438 9.3668 5.50508 4.1125 numMergedOcc 0
29 mol 92 unq 1 iso 1 dist 7.11438 12.8708 7.11127 4.1125 5.50508 9.3668 numMergedOcc 0
30 mol 92 unq 1 iso 0 dist 6.37888 6.46167 7.11438 4.00884 5.50508 4.1125 numMergedOcc 0
31 mol 92 unq 1 iso 1 dist 7.11438 6.46167 6.37888 4.1125 5.50508 4.00884 numMergedOcc 0
32 mol 116 unq 0 iso 0 dist 7.6005 4.61575 8.7583 10.5065 8.38606 14.2962 numMergedOcc 0
33 mol 116 unq 0 iso 1 dist 8.7583 4.61575 7.6005 14.2962 8.38606 10.5065 numMergedOcc 0
34 mol 133 unq 0 iso 0 dist 9.04845 7.3347 7.94325 6.26174 8.95662 5.53181 numMergedOcc 0
35 mol 133 unq 0 iso 1 dist 7.94325 7.3347 9.04845 5.53181 8.95662 6.26174 numMergedOcc 0
36 mol 133 unq 1 iso 0 dist 9.04845 12.3753 6.72323 6.26174 8.95662 14.5316 numMergedOcc 0
37 mol 133 unq 1 iso 1 dist 6.72323 12.3753 9.04845 14.5316 8.95662 6.26174 numMergedOcc 0
38 mol 133 unq 1 iso 0 dist 7.94325 14.0664 6.72323 5.53181 8.95662 14.5316 numMergedOcc 0
39 mol 133 unq 1 iso 1 dist 6.72323 14.0664 7.94325 14.5316 8.95662 5.53181 numMergedOcc 0
40 mol 225 unq 0 iso 0 dist 9.79381 3.88086 8.37379 9.51443 8.37739 11.2979 numMergedOcc 0
41 mol 225 unq 0 iso 1 dist 8.37379 3.88086 9.79381 11.2979 8.37739 9.51443 numMergedOcc 0
42 mol 225 unq 1 iso 0 dist 9.79381 3.88086 8.37379 9.52516 9.47237 11.0488 numMergedOcc 0
43 mol 225 unq 1 iso 1 dist 8.37379 3.88086 9.79381 11.0488 9.47237 9.52516 numMergedOcc 0
44 mol 244 unq 0 iso 0 dist 8.08939 6.37954 7.33574 8.89726 7.95359 4.55034 numMergedOcc 0
45 mol 244 unq 0 iso 1 dist 7.33574 6.37954 8.08939 4.55034 7.95359 8.89726 numMergedOcc 0
46 mol 244 unq 1 iso 0 dist 8.08939 6.37954 7.33574 10.6799 6.22122 8.05133 numMergedOcc 0
47 mol 244 unq 1 iso 1 dist 7.33574 6.37954 8.08939 8.05133 6.22122 10.6799 numMergedOcc 0
48 mol 274 unq 0 iso 0 dist 9.11072 5.41461 9.02071 5.15747 6.88827 4.36131 numMergedOcc 0
49 mol 274 unq 0 iso 1 dist 9.02071 5.41461 9.11072 4.36131 6.88827 5.15747 numMergedOcc 0
