0 mol 17 unq 0 iso 0 dist 5.41678 8.44037 5.22923 9.31896 7.18716 11.4665 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 7.77613 7.32472 5.29955 4.61111 7.68019 4.75881 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.9175 9.80453 3.42062 8.42234 6.77802 9.05737 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 6.75432 5.23167 3.70802 3.89181 7.49792 4.46067 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 8.45469 5.23167 3.66673 3.89181 6.58981 4.46067 numMergedOcc 0
5 mol 62 unq 2 iso 0 dist 7.63855 6.0827 4.29679 5.4275 6.51901 4.46067 numMergedOcc 0
6 mol 62 unq 3 iso 0 dist 5.48766 6.0827 8.07308 5.4275 9.1926 4.46067 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 6.24764 7.61514 3.81285 10.8634 8.15861 6.67137 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 6.24764 7.61514 3.81285 11.7351 9.27814 12.9252 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 6.24764 8.21116 6.17121 10.8634 8.15861 7.04244 numMergedOcc 0
10 mol 85 unq 3 iso 0 dist 6.24764 8.21116 6.17121 11.7351 9.27814 15.2807 numMergedOcc 0
11 mol 90 unq 0 iso 0 dist 9.25793 7.30934 3.79142 4.3421 6.77993 5.24346 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 7.04155 8.345 7.05304 7.0652 8.92653 11.0789 numMergedOcc 0
13 mol 93 unq 1 iso 0 dist 7.04155 6.06155 3.89959 7.0652 8.92653 8.71366 numMergedOcc 0
14 mol 103 unq 0 iso 0 dist 6.95777 7.91691 9.06356 4.39733 9.75833 12.1031 numMergedOcc 0
15 mol 117 unq 0 iso 0 dist 6.98104 5.56913 8.97988 10.2106 5.94465 11.2109 numMergedOcc 0
16 mol 176 unq 0 iso 0 dist 7.06005 6.32254 3.75017 4.03856 9.40603 8.65645 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 9.21721 6.15671 6.46348 14.6218 8.52735 12.4707 numMergedOcc 0
18 mol 225 unq 1 iso 0 dist 9.21721 6.15671 6.46348 8.58432 5.65735 9.54529 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 6.14231 8.26228 7.71002 11.3526 6.67548 11.3566 numMergedOcc 0
20 mol 264 unq 1 iso 0 dist 6.14231 8.26228 7.71002 8.93485 5.57579 9.66166 numMergedOcc 0
21 mol 281 unq 0 iso 0 dist 9.79394 8.78416 3.86368 16.2332 7.43535 7.90368 numMergedOcc 0
22 mol 281 unq 1 iso 0 dist 9.79394 9.22428 7.4282 16.2332 7.43535 9.46544 numMergedOcc 0
23 mol 281 unq 2 iso 0 dist 6.52115 7.82358 3.86368 12.9503 7.43535 7.90368 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 8.62338 7.96707 3.76412 7.52677 8.15636 10.5724 numMergedOcc 0
25 mol 287 unq 1 iso 0 dist 8.62338 7.96707 3.76412 9.46641 7.86292 9.98932 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 8.62338 7.96707 3.76412 7.52677 8.15636 10.5724 numMergedOcc 0
27 mol 288 unq 1 iso 0 dist 8.62338 7.96707 3.76412 9.46641 7.86292 9.98932 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 8.62338 7.96707 3.76412 7.52677 8.15636 10.5724 numMergedOcc 0
29 mol 289 unq 1 iso 0 dist 8.62338 7.96707 3.76412 9.46641 7.86292 9.98932 numMergedOcc 0
30 mol 294 unq 0 iso 0 dist 9.03579 9.32126 12.1296 4.63586 7.58948 13.061 numMergedOcc 0
31 mol 294 unq 1 iso 0 dist 9.03579 9.38111 12.718 4.63586 7.58948 11.8214 numMergedOcc 0
32 mol 294 unq 2 iso 0 dist 9.03579 9.14005 13.7631 4.63586 7.58948 13.4777 numMergedOcc 0
