0 mol 2 unq 0 iso 0 dist 7.29506 10.0503 6.89072 5.30945 7.2721 8.35692 numMergedOcc 0
1 mol 5 unq 0 iso 0 dist 7.0627 4.69173 4.9568 8.35174 5.69239 3.67097 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 6.42645 3.91116 7.25138 7.49995 4.46067 6.13411 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 6.72584 10.5201 9.94528 11.4698 7.50925 5.31562 numMergedOcc 0
4 mol 83 unq 1 iso 0 dist 6.72584 10.5201 9.94528 10.6239 6.96722 9.24212 numMergedOcc 0
5 mol 83 unq 2 iso 0 dist 6.72584 7.36012 8.94777 11.4698 7.50925 8.56578 numMergedOcc 0
6 mol 83 unq 3 iso 0 dist 6.72584 7.36012 8.94777 10.6239 6.96722 12.1198 numMergedOcc 0
7 mol 83 unq 4 iso 0 dist 6.72584 14.1233 9.47551 11.4698 7.50925 7.14423 numMergedOcc 0
8 mol 83 unq 5 iso 0 dist 6.72584 14.1233 9.47551 10.6239 6.96722 3.76903 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 8.93999 6.80253 8.03124 4.03393 9.31385 6.03314 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 8.93999 6.80253 8.03124 8.26567 6.98791 4.74539 numMergedOcc 0
11 mol 168 unq 0 iso 0 dist 6.24232 10.8619 6.48066 8.3462 5.86767 3.56227 numMergedOcc 0
12 mol 168 unq 1 iso 0 dist 6.24232 10.8619 6.48066 10.7396 5.28353 3.96437 numMergedOcc 0
13 mol 168 unq 2 iso 0 dist 8.1953 12.8199 6.48066 13.7178 5.86767 3.56227 numMergedOcc 0
14 mol 168 unq 3 iso 0 dist 8.1953 12.8199 6.48066 9.33959 5.28353 3.96437 numMergedOcc 0
15 mol 169 unq 0 iso 0 dist 9.03941 13.2649 7.50458 9.52806 5.10589 4.24401 numMergedOcc 0
16 mol 169 unq 1 iso 0 dist 8.80004 11.1188 7.78577 9.55863 5.10589 3.69097 numMergedOcc 0
17 mol 169 unq 2 iso 0 dist 8.80004 11.1188 7.78577 4.68959 4.63336 7.14832 numMergedOcc 0
18 mol 169 unq 3 iso 0 dist 8.80004 11.1188 7.78577 5.99532 6.10715 8.01356 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 9.35481 7.11382 7.65214 10.2778 9.21536 3.62053 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.00122 6.11777 8.72101 16.3502 7.98956 14.313 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 9.00122 6.11777 8.72101 14.0447 5.86185 13.2017 numMergedOcc 0
22 mol 277 unq 2 iso 0 dist 9.00122 6.11777 8.72101 9.0121 6.79748 10.3346 numMergedOcc 0
23 mol 277 unq 3 iso 0 dist 9.00122 11.7535 5.11998 16.3502 7.98956 7.31817 numMergedOcc 0
24 mol 277 unq 4 iso 0 dist 9.00122 11.7535 5.11998 14.0447 5.86185 3.91224 numMergedOcc 0
25 mol 277 unq 5 iso 0 dist 9.00122 11.7535 5.11998 9.0121 6.79748 10.8296 numMergedOcc 0
26 mol 277 unq 6 iso 0 dist 6.47907 6.11777 8.75619 9.0121 6.53598 10.3346 numMergedOcc 0
27 mol 277 unq 7 iso 0 dist 6.47907 11.7535 5.79925 9.0121 6.53598 10.8296 numMergedOcc 0
28 mol 277 unq 8 iso 0 dist 6.47907 10.9916 8.55906 9.0121 6.53598 8.55356 numMergedOcc 0
29 mol 277 unq 9 iso 0 dist 6.47907 4.65535 5.55523 9.0121 6.53598 10.7151 numMergedOcc 0
30 mol 285 unq 0 iso 0 dist 6.94666 6.61129 6.73396 8.56197 5.88958 7.01472 numMergedOcc 0
31 mol 285 unq 1 iso 0 dist 6.94666 6.61129 6.73396 12.7469 7.78121 11.0045 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 8.08382 7.88871 7.84189 6.1158 4.68668 9.51119 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 8.08382 7.88871 7.84189 6.1158 4.68668 9.51119 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 8.08382 7.88871 7.84189 6.1158 4.68668 9.51119 numMergedOcc 0
