0 mol 11 unq 0 iso 0 dist 9.52695 9.36527 7.98326 9.07476 6.76736 9.81983 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 8.23032 4.24301 7.90478 13.4066 13.5186 9.81983 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 8.22997 11.7321 7.90478 18.6471 13.5186 9.81983 numMergedOcc 0
3 mol 12 unq 0 iso 0 dist 9.25493 10.229 7.92714 15.5001 6.55567 9.8142 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 5.19544 8.80394 6.03257 14.8541 11.6414 6.31608 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 6.17217 4.29919 6.56527 13.1741 12.5394 9.11311 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 4.38047 10.5895 9.17082 12.3124 10.1455 8.75957 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 8.17655 4.32712 8.03296 12.1492 8.85563 9.99805 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 8.17655 4.32712 8.03296 10.6942 4.37918 8.84225 numMergedOcc 0
9 mol 79 unq 2 iso 0 dist 8.17655 11.1935 9.26979 17.3997 13.333 8.33791 numMergedOcc 0
10 mol 79 unq 3 iso 0 dist 8.17655 11.1935 9.26979 16.2731 10.3746 7.38548 numMergedOcc 0
11 mol 79 unq 4 iso 0 dist 8.17655 11.1935 9.26979 12.1492 8.85563 8.2992 numMergedOcc 0
12 mol 79 unq 5 iso 0 dist 8.17655 11.1935 9.26979 10.6942 4.37918 6.72546 numMergedOcc 0
13 mol 79 unq 6 iso 0 dist 6.47416 4.32712 5.82754 12.1492 6.01885 9.99805 numMergedOcc 0
14 mol 79 unq 7 iso 0 dist 6.47416 4.32712 5.82754 10.6942 9.08423 8.84225 numMergedOcc 0
15 mol 79 unq 8 iso 0 dist 6.47416 11.1935 9.05679 17.3997 12.313 8.33791 numMergedOcc 0
16 mol 79 unq 9 iso 0 dist 6.47416 11.1935 9.05679 16.2731 12.3366 7.38548 numMergedOcc 0
17 mol 79 unq 10 iso 0 dist 6.47416 11.1935 9.05679 12.1492 6.01885 8.2992 numMergedOcc 0
18 mol 79 unq 11 iso 0 dist 6.47416 11.1935 9.05679 10.6942 9.08423 6.72546 numMergedOcc 0
19 mol 79 unq 12 iso 0 dist 9.78129 6.04442 8.03296 15.3113 8.85563 9.99805 numMergedOcc 0
20 mol 79 unq 13 iso 0 dist 9.78129 6.04442 8.03296 10.6363 4.37918 8.84225 numMergedOcc 0
21 mol 79 unq 14 iso 0 dist 9.78129 11.2226 9.26979 18.9696 13.333 8.33791 numMergedOcc 0
22 mol 79 unq 15 iso 0 dist 9.78129 11.2226 9.26979 16.8045 10.3746 7.38548 numMergedOcc 0
23 mol 79 unq 16 iso 0 dist 9.78129 11.2226 9.26979 15.3113 8.85563 8.2992 numMergedOcc 0
24 mol 79 unq 17 iso 0 dist 9.78129 11.2226 9.26979 10.6363 4.37918 6.72546 numMergedOcc 0
25 mol 92 unq 0 iso 0 dist 7.7913 12.841 5.50508 14.0026 9.18008 8.4219 numMergedOcc 0
26 mol 92 unq 1 iso 0 dist 5.62309 4.1125 6.77241 7.7399 8.93569 6.89071 numMergedOcc 0
27 mol 92 unq 2 iso 0 dist 7.11127 9.3668 5.50508 8.39069 3.98877 6.89071 numMergedOcc 0
28 mol 92 unq 3 iso 0 dist 6.37888 4.00884 5.50508 5.48163 3.98877 6.89071 numMergedOcc 0
29 mol 92 unq 4 iso 0 dist 7.11438 4.1125 5.50508 7.7399 3.98877 6.89071 numMergedOcc 0
30 mol 113 unq 0 iso 0 dist 9.66068 14.6132 6.6317 11.3681 5.40648 9.62952 numMergedOcc 0
31 mol 116 unq 0 iso 0 dist 7.6005 10.5065 8.38606 8.24233 4.13755 8.58308 numMergedOcc 0
32 mol 116 unq 1 iso 0 dist 8.7583 14.2962 8.38606 10.1101 4.13755 8.58308 numMergedOcc 0
33 mol 119 unq 0 iso 0 dist 8.75431 4.09788 7.20249 9.72764 5.77063 6.21165 numMergedOcc 0
34 mol 186 unq 0 iso 0 dist 7.58256 5.98598 6.21159 10.1955 5.39534 5.25762 numMergedOcc 0
35 mol 232 unq 0 iso 0 dist 9.41148 6.36084 9.78181 11.6863 12.3206 9.78273 numMergedOcc 0
36 mol 232 unq 1 iso 0 dist 7.83422 6.36084 9.8664 11.6863 12.159 9.78273 numMergedOcc 0
37 mol 244 unq 0 iso 0 dist 5.79898 4.38246 6.22122 13.0697 13.2473 9.30179 numMergedOcc 0
38 mol 244 unq 1 iso 0 dist 5.79898 4.38246 6.22122 5.16859 10.1665 6.10489 numMergedOcc 0
39 mol 244 unq 2 iso 0 dist 5.79898 4.38246 6.22122 4.79207 5.68434 4.4204 numMergedOcc 0
40 mol 256 unq 0 iso 0 dist 5.66817 7.4144 6.33496 11.6463 10.03 6.63831 numMergedOcc 0
41 mol 256 unq 1 iso 0 dist 5.66817 7.4144 6.33496 9.66732 4.26681 9.23909 numMergedOcc 0
42 mol 256 unq 2 iso 0 dist 5.66817 3.86625 6.00636 11.6463 10.03 8.08629 numMergedOcc 0
43 mol 256 unq 3 iso 0 dist 5.66817 11.0891 7.81448 9.66732 4.26681 9.16597 numMergedOcc 0
44 mol 274 unq 0 iso 0 dist 9.11072 5.15747 6.88827 9.82713 8.87313 8.09181 numMergedOcc 0
45 mol 274 unq 1 iso 0 dist 6.83113 5.15747 9.16942 9.82713 6.97575 8.09181 numMergedOcc 0
46 mol 274 unq 2 iso 0 dist 9.02071 4.36131 6.88827 12.3011 8.87313 8.09181 numMergedOcc 0
47 mol 287 unq 0 iso 0 dist 8.42076 5.89772 6.95912 12.922 5.9468 9.23152 numMergedOcc 0
48 mol 288 unq 0 iso 0 dist 8.42076 5.89772 6.95912 12.922 5.9468 9.23152 numMergedOcc 0
49 mol 289 unq 0 iso 0 dist 8.42076 5.89772 6.95912 12.922 5.9468 9.23152 numMergedOcc 0
