0 mol 68 unq 0 iso 0 dist 4.9983 5.16912 8.18214 6.38389 4.90093 7.13073 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 5.38363 11.5849 9.56859 10.1152 7.41719 16.4573 numMergedOcc 0
2 mol 69 unq 1 iso 0 dist 5.38363 11.5849 9.56859 5.74577 8.93237 15.491 numMergedOcc 0
3 mol 69 unq 2 iso 0 dist 5.38363 5.10938 5.75135 10.1152 7.41719 12.8766 numMergedOcc 0
4 mol 69 unq 3 iso 0 dist 5.38363 5.10938 5.75135 5.74577 8.93237 10.5183 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 4.7751 9.2673 8.83822 7.45509 7.78914 13.9931 numMergedOcc 0
6 mol 120 unq 1 iso 0 dist 4.7751 9.2673 8.83822 6.78986 9.35938 7.26787 numMergedOcc 0
7 mol 136 unq 0 iso 0 dist 8.65282 5.12719 8.59512 6.55527 8.11959 8.43256 numMergedOcc 0
8 mol 205 unq 0 iso 0 dist 9.2814 11.5663 8.25174 12.0387 6.11886 4.02883 numMergedOcc 0
9 mol 205 unq 1 iso 0 dist 9.2814 10.3557 9.16671 12.0387 6.11886 8.28418 numMergedOcc 0
10 mol 237 unq 0 iso 0 dist 9.763 13.012 9.33231 7.29423 5.12878 6.26246 numMergedOcc 0
11 mol 239 unq 0 iso 0 dist 9.0495 12.0443 5.17335 10.1773 6.8123 8.12689 numMergedOcc 0
12 mol 254 unq 0 iso 0 dist 9.31593 10.7808 9.09568 18.2494 9.70628 11.667 numMergedOcc 0
13 mol 254 unq 1 iso 0 dist 9.31593 4.78244 7.84221 18.2494 9.70628 15.4665 numMergedOcc 0
14 mol 257 unq 0 iso 0 dist 6.73777 14.832 9.82105 11.2955 9.62817 13.0082 numMergedOcc 0
15 mol 260 unq 0 iso 0 dist 4.54064 9.30964 7.88108 4.96171 8.43724 13.9464 numMergedOcc 0
16 mol 260 unq 1 iso 0 dist 5.33881 13.8952 9.46576 4.11741 7.30584 14.8362 numMergedOcc 0
17 mol 265 unq 0 iso 0 dist 5.44039 8.73438 5.8898 9.6551 6.80043 4.86847 numMergedOcc 0
18 mol 268 unq 0 iso 0 dist 8.24792 5.70686 8.6577 5.11731 7.04565 9.86718 numMergedOcc 0
19 mol 285 unq 0 iso 0 dist 8.95073 7.72208 8.19757 11.3632 8.26827 4.43168 numMergedOcc 0
20 mol 285 unq 1 iso 0 dist 8.95073 7.72208 8.19757 5.56783 7.9002 11.4216 numMergedOcc 0
