0 mol 45 unq 0 iso 0 dist 5.90391 6.74686 8.82771 4.98191 7.18002 3.76045 numMergedOcc 0
1 mol 45 unq 0 iso 1 dist 8.82771 6.74686 5.90391 3.76045 7.18002 4.98191 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 9.51608 10.9425 8.62536 7.19418 4.86696 11.534 numMergedOcc 0
3 mol 76 unq 0 iso 1 dist 8.62536 10.9425 9.51608 11.534 4.86696 7.19418 numMergedOcc 0
4 mol 102 unq 0 iso 0 dist 9.61113 12.0662 7.73836 11.0943 9.61193 11.9665 numMergedOcc 0
5 mol 102 unq 0 iso 1 dist 7.73836 12.0662 9.61113 11.9665 9.61193 11.0943 numMergedOcc 0
6 mol 142 unq 0 iso 0 dist 5.1557 10.9934 9.5355 6.61855 5.79144 5.19808 numMergedOcc 0
7 mol 142 unq 0 iso 1 dist 9.5355 10.9934 5.1557 5.19808 5.79144 6.61855 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 4.95086 9.54023 8.39524 5.14383 8.62135 14.0428 numMergedOcc 0
9 mol 147 unq 0 iso 1 dist 8.39524 9.54023 4.95086 14.0428 8.62135 5.14383 numMergedOcc 0
10 mol 156 unq 0 iso 0 dist 6.67598 14.2743 8.34508 15.4738 9.15935 7.92829 numMergedOcc 0
11 mol 156 unq 0 iso 1 dist 8.34508 14.2743 6.67598 7.92829 9.15935 15.4738 numMergedOcc 0
12 mol 193 unq 0 iso 0 dist 9.16852 8.50438 8.6538 11.2707 6.63784 5.10716 numMergedOcc 0
13 mol 193 unq 0 iso 1 dist 8.6538 8.50438 9.16852 5.10716 6.63784 11.2707 numMergedOcc 0
14 mol 193 unq 1 iso 0 dist 9.16852 8.50438 8.6538 13.7744 9.00934 8.89309 numMergedOcc 0
15 mol 193 unq 1 iso 1 dist 8.6538 8.50438 9.16852 8.89309 9.00934 13.7744 numMergedOcc 0
16 mol 193 unq 2 iso 0 dist 9.16852 13.1729 5.19654 11.2707 6.63784 4.40965 numMergedOcc 0
17 mol 193 unq 2 iso 1 dist 5.19654 13.1729 9.16852 4.40965 6.63784 11.2707 numMergedOcc 0
18 mol 193 unq 3 iso 0 dist 9.16852 13.1729 5.19654 13.7744 9.00934 6.04442 numMergedOcc 0
19 mol 193 unq 3 iso 1 dist 5.19654 13.1729 9.16852 6.04442 9.00934 13.7744 numMergedOcc 0
20 mol 193 unq 2 iso 0 dist 8.6538 8.96814 5.19654 5.10716 6.63784 4.40965 numMergedOcc 0
21 mol 193 unq 2 iso 1 dist 5.19654 8.96814 8.6538 4.40965 6.63784 5.10716 numMergedOcc 0
22 mol 193 unq 3 iso 0 dist 8.6538 8.96814 5.19654 8.89309 9.00934 6.04442 numMergedOcc 0
23 mol 193 unq 3 iso 1 dist 5.19654 8.96814 8.6538 6.04442 9.00934 8.89309 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 8.21112 4.4482 7.06533 6.20494 9.88692 5.10421 numMergedOcc 0
25 mol 205 unq 0 iso 1 dist 7.06533 4.4482 8.21112 5.10421 9.88692 6.20494 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 8.21112 4.4482 7.06533 13.2338 9.38368 9.56612 numMergedOcc 0
27 mol 205 unq 1 iso 1 dist 7.06533 4.4482 8.21112 9.56612 9.38368 13.2338 numMergedOcc 0
28 mol 205 unq 2 iso 0 dist 8.21112 11.1418 5.94835 6.20494 9.88692 14.6973 numMergedOcc 0
29 mol 205 unq 2 iso 1 dist 5.94835 11.1418 8.21112 14.6973 9.88692 6.20494 numMergedOcc 0
30 mol 205 unq 3 iso 0 dist 8.21112 11.1418 5.94835 13.2338 9.38368 13.8741 numMergedOcc 0
31 mol 205 unq 3 iso 1 dist 5.94835 11.1418 8.21112 13.8741 9.38368 13.2338 numMergedOcc 0
32 mol 205 unq 2 iso 0 dist 7.06533 10.4273 5.94835 5.10421 9.88692 14.6973 numMergedOcc 0
33 mol 205 unq 2 iso 1 dist 5.94835 10.4273 7.06533 14.6973 9.88692 5.10421 numMergedOcc 0
34 mol 205 unq 3 iso 0 dist 7.06533 10.4273 5.94835 9.56612 9.38368 13.8741 numMergedOcc 0
35 mol 205 unq 3 iso 1 dist 5.94835 10.4273 7.06533 13.8741 9.38368 9.56612 numMergedOcc 0
36 mol 211 unq 0 iso 0 dist 9.45365 4.78922 7.15386 11.3775 8.13147 6.72244 numMergedOcc 0
37 mol 211 unq 0 iso 1 dist 7.15386 4.78922 9.45365 6.72244 8.13147 11.3775 numMergedOcc 0
38 mol 211 unq 1 iso 0 dist 9.45365 8.05917 7.73993 11.3775 8.13147 8.28079 numMergedOcc 0
39 mol 211 unq 1 iso 1 dist 7.73993 8.05917 9.45365 8.28079 8.13147 11.3775 numMergedOcc 0
40 mol 211 unq 1 iso 0 dist 7.15386 5.16245 7.73993 6.72244 8.13147 8.28079 numMergedOcc 0
41 mol 211 unq 1 iso 1 dist 7.73993 5.16245 7.15386 8.28079 8.13147 6.72244 numMergedOcc 0
42 mol 260 unq 0 iso 0 dist 9.05149 10.3809 8.3298 4.52227 8.69923 9.8997 numMergedOcc 0
43 mol 260 unq 0 iso 1 dist 8.3298 10.3809 9.05149 9.8997 8.69923 4.52227 numMergedOcc 0
