0 mol 7 unq 0 iso 0 dist 9.54727 9.91279 9.5325 6.11915 8.60435 6.15313 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 8.6578 17.5795 9.16411 6.30672 7.03307 13.7449 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 8.6578 17.5795 9.16411 10.7753 7.25707 10.2782 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 8.8466 16.3273 8.23849 6.99666 6.40693 10.8073 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 8.8466 6.94076 6.4776 6.99666 6.40693 9.58376 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 9.23537 12.2325 8.39494 5.00897 7.62738 13.4867 numMergedOcc 0
6 mol 162 unq 0 iso 0 dist 7.34321 5.5542 4.49707 4.55978 8.21989 5.81787 numMergedOcc 0
7 mol 175 unq 0 iso 0 dist 5.32236 10.2448 9.02096 5.86269 8.05247 8.56805 numMergedOcc 0
8 mol 175 unq 1 iso 0 dist 5.32236 10.2448 9.02096 10.5222 9.71028 11.8728 numMergedOcc 0
9 mol 210 unq 0 iso 0 dist 8.53457 13.7365 5.6524 11.3555 5.57779 4.36112 numMergedOcc 0
10 mol 210 unq 1 iso 0 dist 8.53457 13.7365 5.6524 4.94588 7.05649 10.7545 numMergedOcc 0
11 mol 210 unq 2 iso 0 dist 8.53457 13.7365 5.6524 6.61563 6.78579 10.4519 numMergedOcc 0
12 mol 218 unq 0 iso 0 dist 9.71415 9.72559 5.8679 14.3098 9.32945 10.6737 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 6.648 4.64651 7.14271 7.31769 6.51288 4.33033 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 6.648 12.5811 7.4083 7.31769 6.51288 9.70769 numMergedOcc 0
15 mol 220 unq 2 iso 0 dist 6.648 13.833 8.24411 7.31769 6.51288 8.47293 numMergedOcc 0
16 mol 230 unq 0 iso 0 dist 8.02209 11.0843 6.86851 10.4085 8.34416 11.277 numMergedOcc 0
17 mol 230 unq 1 iso 0 dist 8.02209 11.0843 6.86851 5.50843 6.34832 9.16476 numMergedOcc 0
18 mol 230 unq 2 iso 0 dist 8.02209 15.1537 9.88392 10.4085 8.34416 6.41577 numMergedOcc 0
19 mol 230 unq 3 iso 0 dist 8.02209 15.1537 9.88392 5.50843 6.34832 10.5257 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 7.92537 11.1133 9.56438 8.23428 9.30921 11.1913 numMergedOcc 0
