0 mol 11 unq 0 iso 0 dist 9.52695 9.07476 6.76736 9.36527 7.98326 9.81983 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.52695 9.07476 6.76736 10.1362 7.46578 13.0898 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 9.78754 9.04534 6.51674 9.66474 7.98326 10.0282 numMergedOcc 0
3 mol 11 unq 3 iso 0 dist 9.78754 9.04534 6.51674 10.3999 7.90478 13.2204 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 5.19544 5.70754 5.69755 8.80394 6.03257 11.1524 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 9.32718 7.26165 13.7643 4.03003 6.93197 10.8237 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 7.07989 8.18214 3.99506 8.57904 6.74766 10.3263 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 8.17655 9.00872 9.83579 4.32712 8.03296 10.3715 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 8.17655 9.00872 9.83579 11.1935 9.26979 14.2918 numMergedOcc 0
9 mol 79 unq 2 iso 0 dist 6.47416 9.00872 5.29018 4.32712 5.82754 10.3715 numMergedOcc 0
10 mol 79 unq 3 iso 0 dist 6.47416 9.00872 5.29018 11.1935 9.05679 14.2918 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 7.7913 5.04673 5.09449 11.9687 6.77241 11.308 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 7.7913 5.04673 5.09449 12.841 5.50508 9.68537 numMergedOcc 0
13 mol 92 unq 2 iso 0 dist 5.62309 7.29864 3.79182 4.1125 6.77241 9.82998 numMergedOcc 0
14 mol 92 unq 3 iso 0 dist 5.62309 7.7399 8.93569 4.1125 6.77241 6.89071 numMergedOcc 0
15 mol 92 unq 4 iso 0 dist 6.37888 5.48163 3.98877 4.00884 5.50508 6.89071 numMergedOcc 0
16 mol 92 unq 5 iso 0 dist 7.11438 7.29864 9.74373 4.1125 5.50508 9.82998 numMergedOcc 0
17 mol 92 unq 6 iso 0 dist 7.11438 7.7399 3.98877 4.1125 5.50508 6.89071 numMergedOcc 0
18 mol 93 unq 0 iso 0 dist 7.4518 5.10693 4.34681 14.4094 8.89417 12.5925 numMergedOcc 0
19 mol 93 unq 1 iso 0 dist 7.4518 5.10693 4.34681 9.73718 9.95255 11.4623 numMergedOcc 0
20 mol 93 unq 2 iso 0 dist 7.4518 6.58814 5.73248 14.4094 8.89417 12.4787 numMergedOcc 0
21 mol 93 unq 3 iso 0 dist 7.4518 6.58814 5.73248 9.73718 9.95255 11.6044 numMergedOcc 0
22 mol 93 unq 4 iso 0 dist 7.4518 6.13459 13.5809 14.4094 8.89417 19.9616 numMergedOcc 0
23 mol 93 unq 5 iso 0 dist 7.4518 6.13459 13.5809 9.73718 9.95255 13.2775 numMergedOcc 0
24 mol 93 unq 6 iso 0 dist 7.4518 7.54391 14.149 14.4094 8.89417 20.4892 numMergedOcc 0
25 mol 93 unq 7 iso 0 dist 7.4518 7.54391 14.149 9.73718 9.95255 14.6178 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 9.66068 7.96893 6.29259 14.6132 6.6317 10.6717 numMergedOcc 0
27 mol 116 unq 0 iso 0 dist 7.6005 8.24233 4.13755 10.5065 8.38606 8.58308 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 6.72323 8.52036 12.7291 14.5316 8.95662 16.4848 numMergedOcc 0
29 mol 184 unq 0 iso 0 dist 8.95598 9.10344 5.69882 12.4352 7.54099 10.6243 numMergedOcc 0
30 mol 232 unq 0 iso 0 dist 9.41148 9.67243 9.85068 6.36084 9.78181 11.6437 numMergedOcc 0
31 mol 232 unq 1 iso 0 dist 7.83422 9.67243 12.3471 6.36084 9.8664 11.6437 numMergedOcc 0
32 mol 237 unq 0 iso 0 dist 8.42502 9.33231 3.68966 3.96327 8.10254 10.2985 numMergedOcc 0
33 mol 244 unq 0 iso 0 dist 5.79898 5.16859 10.1665 4.38246 6.22122 6.10489 numMergedOcc 0
34 mol 244 unq 1 iso 0 dist 5.79898 4.79207 5.68434 4.38246 6.22122 4.4204 numMergedOcc 0
35 mol 247 unq 0 iso 0 dist 6.18065 4.78189 8.67313 10.7268 8.45756 11.376 numMergedOcc 0
36 mol 260 unq 0 iso 0 dist 5.68717 7.88108 3.60349 7.55193 9.32954 12.8322 numMergedOcc 0
37 mol 260 unq 1 iso 0 dist 5.68717 9.46576 7.28821 7.55193 9.32954 9.24869 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 9.11072 9.82713 8.87313 5.15747 6.88827 8.09181 numMergedOcc 0
39 mol 274 unq 1 iso 0 dist 6.83113 9.82713 6.97575 5.15747 9.16942 8.09181 numMergedOcc 0
40 mol 274 unq 2 iso 0 dist 9.44134 9.82713 9.92055 6.70266 7.75216 13.9254 numMergedOcc 0
