0 mol 32 unq 0 iso 0 dist 4.31912 7.70136 7.18766 6.44894 7.48825 9.61004 numMergedOcc 0
1 mol 32 unq 0 iso 1 dist 4.31912 6.44894 7.48825 7.70136 7.18766 9.61004 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.57908 6.68767 8.55901 4.43122 9.03412 10.3706 numMergedOcc 0
3 mol 34 unq 0 iso 1 dist 6.57908 4.43122 9.03412 6.68767 8.55901 10.3706 numMergedOcc 0
4 mol 94 unq 0 iso 0 dist 9.09071 14.1272 7.38914 10.146 7.0529 5.31202 numMergedOcc 0
5 mol 94 unq 0 iso 1 dist 9.09071 10.146 7.0529 14.1272 7.38914 5.31202 numMergedOcc 0
6 mol 105 unq 0 iso 0 dist 6.60484 4.44684 6.52726 12.4378 9.12363 10.882 numMergedOcc 0
7 mol 105 unq 0 iso 1 dist 6.60484 12.4378 9.12363 4.44684 6.52726 10.882 numMergedOcc 0
8 mol 105 unq 1 iso 0 dist 6.60484 4.44684 6.52726 11.7644 6.50017 11.3312 numMergedOcc 0
9 mol 105 unq 1 iso 1 dist 6.60484 11.7644 6.50017 4.44684 6.52726 11.3312 numMergedOcc 0
10 mol 105 unq 1 iso 0 dist 6.60484 12.4378 9.12363 11.7644 6.50017 5.27191 numMergedOcc 0
11 mol 105 unq 1 iso 1 dist 6.60484 11.7644 6.50017 12.4378 9.12363 5.27191 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 8.50045 13.5627 9.86739 14.1282 8.39249 7.68699 numMergedOcc 0
13 mol 114 unq 0 iso 1 dist 8.50045 14.1282 8.39249 13.5627 9.86739 7.68699 numMergedOcc 0
14 mol 114 unq 1 iso 0 dist 8.50045 13.5627 9.86739 6.69079 8.93623 11.9022 numMergedOcc 0
15 mol 114 unq 1 iso 1 dist 8.50045 6.69079 8.93623 13.5627 9.86739 11.9022 numMergedOcc 0
16 mol 114 unq 1 iso 0 dist 8.50045 14.1282 8.39249 6.69079 8.93623 10.0883 numMergedOcc 0
17 mol 114 unq 1 iso 1 dist 8.50045 6.69079 8.93623 14.1282 8.39249 10.0883 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 8.82363 10.6383 8.55681 5.29975 6.2135 10.8776 numMergedOcc 0
19 mol 141 unq 0 iso 1 dist 8.82363 5.29975 6.2135 10.6383 8.55681 10.8776 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 5.76702 5.93604 8.55681 6.38237 6.2135 10.8776 numMergedOcc 0
21 mol 141 unq 1 iso 1 dist 5.76702 6.38237 6.2135 5.93604 8.55681 10.8776 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 7.29635 12.5331 8.75834 8.6004 7.51827 14.0478 numMergedOcc 0
23 mol 225 unq 0 iso 1 dist 7.29635 8.6004 7.51827 12.5331 8.75834 14.0478 numMergedOcc 0
24 mol 225 unq 1 iso 0 dist 4.90724 6.299 8.75834 9.63082 9.36396 15.6443 numMergedOcc 0
25 mol 225 unq 1 iso 1 dist 4.90724 9.63082 9.36396 6.299 8.75834 15.6443 numMergedOcc 0
26 mol 225 unq 2 iso 0 dist 7.01671 6.98496 8.75834 13.7921 9.36396 15.6443 numMergedOcc 0
27 mol 225 unq 2 iso 1 dist 7.01671 13.7921 9.36396 6.98496 8.75834 15.6443 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 9.187 5.38513 6.152 13.6352 7.95168 8.55671 numMergedOcc 0
29 mol 227 unq 0 iso 1 dist 9.187 13.6352 7.95168 5.38513 6.152 8.55671 numMergedOcc 0
30 mol 243 unq 0 iso 0 dist 9.8043 5.32118 9.1101 11.4546 8.93338 8.07376 numMergedOcc 0
31 mol 243 unq 0 iso 1 dist 9.8043 11.4546 8.93338 5.32118 9.1101 8.07376 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 5.67172 4.50424 8.76313 5.41805 7.4363 6.24853 numMergedOcc 0
33 mol 259 unq 0 iso 1 dist 5.67172 5.41805 7.4363 4.50424 8.76313 6.24853 numMergedOcc 0
34 mol 270 unq 0 iso 0 dist 9.4555 9.0548 6.79822 11.3548 9.17227 7.61559 numMergedOcc 0
35 mol 270 unq 0 iso 1 dist 9.4555 11.3548 9.17227 9.0548 6.79822 7.61559 numMergedOcc 0
36 mol 270 unq 1 iso 0 dist 9.94203 9.28469 6.79822 6.83592 9.17227 7.61559 numMergedOcc 0
37 mol 270 unq 1 iso 1 dist 9.94203 6.83592 9.17227 9.28469 6.79822 7.61559 numMergedOcc 0
