0 mol 5 unq 0 iso 0 dist 5.04052 7.0627 3.33561 4.69173 5.2392 4.9568 8.35174 7.50453 5.69239 3.67097 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 5.92285 6.42645 5.98227 3.91116 7.30651 7.25138 7.49995 8.93807 4.46067 6.13411 numMergedOcc 0
2 mol 62 unq 1 iso 0 dist 8.38687 6.42645 5.87787 3.91116 11.2695 7.25138 7.49995 9.7316 4.46067 6.13411 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 6.61587 6.72584 3.31218 10.5201 12.7092 9.94528 11.4698 10.6413 7.50925 5.31562 numMergedOcc 0
4 mol 83 unq 1 iso 0 dist 6.61587 6.72584 3.31218 10.5201 12.7092 9.94528 10.6239 9.88456 6.96722 9.24212 numMergedOcc 0
5 mol 83 unq 2 iso 0 dist 6.61587 6.72584 3.31218 7.36012 10.3095 8.94777 11.4698 10.6413 7.50925 8.56578 numMergedOcc 0
6 mol 83 unq 3 iso 0 dist 6.61587 6.72584 3.31218 7.36012 10.3095 8.94777 10.6239 9.88456 6.96722 12.1198 numMergedOcc 0
7 mol 83 unq 4 iso 0 dist 6.61587 6.72584 3.31218 14.1233 12.4838 9.47551 11.4698 10.6413 7.50925 7.14423 numMergedOcc 0
8 mol 83 unq 5 iso 0 dist 6.61587 6.72584 3.31218 14.1233 12.4838 9.47551 10.6239 9.88456 6.96722 3.76903 numMergedOcc 0
9 mol 83 unq 6 iso 0 dist 8.24464 6.72584 9.11262 10.5201 16.9209 9.94528 11.4698 15.9146 7.50925 5.31562 numMergedOcc 0
10 mol 83 unq 7 iso 0 dist 8.24464 6.72584 9.11262 10.5201 16.9209 9.94528 10.6239 15.5875 6.96722 9.24212 numMergedOcc 0
11 mol 83 unq 8 iso 0 dist 8.24464 6.72584 9.11262 7.36012 12.6206 8.94777 11.4698 15.9146 7.50925 8.56578 numMergedOcc 0
12 mol 83 unq 9 iso 0 dist 8.24464 6.72584 9.11262 7.36012 12.6206 8.94777 10.6239 15.5875 6.96722 12.1198 numMergedOcc 0
13 mol 83 unq 10 iso 0 dist 8.24464 6.72584 9.11262 14.1233 18.4418 9.47551 11.4698 15.9146 7.50925 7.14423 numMergedOcc 0
14 mol 83 unq 11 iso 0 dist 8.24464 6.72584 9.11262 14.1233 18.4418 9.47551 10.6239 15.5875 6.96722 3.76903 numMergedOcc 0
15 mol 168 unq 0 iso 0 dist 4.68544 8.1953 8.60565 12.8199 14.6843 6.48066 13.7178 14.451 5.86767 3.56227 numMergedOcc 0
16 mol 168 unq 1 iso 0 dist 4.68544 8.1953 8.60565 12.8199 14.6843 6.48066 9.33959 11.9693 5.28353 3.96437 numMergedOcc 0
17 mol 169 unq 0 iso 0 dist 8.79644 8.80004 3.18152 11.1188 10.7469 7.78577 9.55863 7.65903 5.10589 3.69097 numMergedOcc 0
18 mol 169 unq 1 iso 0 dist 8.79644 8.80004 3.18152 11.1188 10.7469 7.78577 4.68959 5.97653 4.63336 7.14832 numMergedOcc 0
19 mol 169 unq 2 iso 0 dist 8.79644 8.80004 3.18152 11.1188 10.7469 7.78577 5.99532 7.75523 6.10715 8.01356 numMergedOcc 0
20 mol 184 unq 0 iso 0 dist 9.53656 9.35481 14.4056 7.11382 14.5729 7.65214 10.2778 16.2679 9.21536 3.62053 numMergedOcc 0
21 mol 184 unq 1 iso 0 dist 7.06562 9.35481 5.54499 7.11382 9.7679 7.65214 10.2778 12.6248 9.21536 3.62053 numMergedOcc 0
22 mol 285 unq 0 iso 0 dist 7.63933 6.94666 3.14843 6.61129 8.27917 6.73396 8.56197 4.27826 5.88958 7.01472 numMergedOcc 0
23 mol 285 unq 1 iso 0 dist 7.63933 6.94666 3.14843 6.61129 8.27917 6.73396 12.7469 5.82074 7.78121 11.0045 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 7.74312 8.08382 3.66473 7.88871 10.251 7.84189 6.1158 4.93516 4.68668 9.51119 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 7.74312 8.08382 3.66473 7.88871 10.251 7.84189 6.1158 4.93516 4.68668 9.51119 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 7.74312 8.08382 3.66473 7.88871 10.251 7.84189 6.1158 4.93516 4.68668 9.51119 numMergedOcc 0
