0 mol 20 unq 0 iso 0 dist 9.78431 10.6755 5.83917 7.58687 4.36087 4.49303 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.78431 10.6755 5.83917 5.14626 7.09639 6.00525 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.87762 15.2801 7.79336 4.96658 9.41098 16.3505 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 9.06787 11.0471 7.11695 4.50355 9.32314 9.15119 numMergedOcc 0
4 mol 53 unq 1 iso 0 dist 9.06787 15.2861 7.58093 4.50355 9.32314 14.2778 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 5.14123 9.82767 8.35444 6.84869 6.23509 3.75088 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 5.6359 7.29999 9.1062 4.85685 9.19512 5.27573 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 5.35145 8.6915 8.96498 5.88789 5.88409 11.4786 numMergedOcc 0
8 mol 107 unq 0 iso 0 dist 8.76052 7.34014 7.14125 4.0435 9.54492 5.43836 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 6.31404 5.93604 4.26972 10.2525 5.95801 4.48264 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 6.31404 5.93604 4.26972 14.7938 9.92715 12.3921 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 6.31404 6.50711 7.54341 10.2525 5.95801 9.42799 numMergedOcc 0
12 mol 141 unq 3 iso 0 dist 6.31404 6.50711 7.54341 14.7938 9.92715 11.3121 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 6.20862 6.299 8.91356 13.4094 8.74463 16.5061 numMergedOcc 0
14 mol 225 unq 1 iso 0 dist 6.20862 9.63082 9.59574 13.4094 8.74463 10.2743 numMergedOcc 0
15 mol 225 unq 2 iso 0 dist 7.27888 13.7014 8.91356 6.04835 8.74463 16.5061 numMergedOcc 0
16 mol 225 unq 3 iso 0 dist 7.27888 13.9767 9.59574 6.04835 8.74463 10.2743 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 8.52702 4.91827 8.5613 4.38276 9.73217 6.03233 numMergedOcc 0
18 mol 260 unq 1 iso 0 dist 8.52702 8.29529 5.7791 4.38276 9.73217 7.66564 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 7.37164 6.34541 8.9466 7.52677 6.22311 4.04301 numMergedOcc 0
20 mol 287 unq 1 iso 0 dist 9.51394 13.7013 8.59762 5.28038 4.93516 8.99193 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 7.37164 6.34541 8.9466 7.52677 6.22311 4.04301 numMergedOcc 0
22 mol 288 unq 1 iso 0 dist 9.51394 13.7013 8.59762 5.28038 4.93516 8.99193 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 7.37164 6.34541 8.9466 7.52677 6.22311 4.04301 numMergedOcc 0
24 mol 289 unq 1 iso 0 dist 9.51394 13.7013 8.59762 5.28038 4.93516 8.99193 numMergedOcc 0
