0 mol 24 unq 0 iso 0 dist 9.7649 14.2346 7.18124 14.5512 6.7846 8.80127 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.7649 14.2346 7.18124 17.9161 13.2846 6.48457 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.5268 11.9263 7.18124 10.6956 6.7846 8.80127 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.5268 11.9263 7.18124 16.6632 13.2846 6.48457 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 8.83919 3.75636 5.31095 10.4366 7.89865 9.32771 numMergedOcc 0
5 mol 81 unq 0 iso 0 dist 4.95504 6.17229 5.70283 11.5207 8.0518 6.4687 numMergedOcc 0
6 mol 81 unq 1 iso 0 dist 4.95504 8.36931 7.16741 11.5207 8.0518 6.67147 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 9.27814 7.18472 7.67463 10.6752 10.3737 8.77199 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 9.27814 7.18472 7.67463 12.9998 8.37717 8.81824 numMergedOcc 0
9 mol 90 unq 0 iso 0 dist 6.02596 9.78119 9.33968 4.75701 4.79453 9.78235 numMergedOcc 0
10 mol 90 unq 1 iso 0 dist 6.02596 9.78119 9.33968 10.9904 6.34112 8.92069 numMergedOcc 0
11 mol 90 unq 2 iso 0 dist 8.17454 15.2751 9.33968 9.89618 4.79453 9.78235 numMergedOcc 0
12 mol 90 unq 3 iso 0 dist 8.17454 15.2751 9.33968 14.4855 6.34112 8.92069 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 7.97266 3.65935 9.24005 9.17862 4.23405 8.69749 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 7.97266 6.43064 7.88846 9.17862 4.23405 5.96576 numMergedOcc 0
15 mol 95 unq 2 iso 0 dist 9.98215 3.8075 9.36638 12.5646 11.8395 8.82395 numMergedOcc 0
16 mol 116 unq 0 iso 0 dist 6.98134 8.18719 7.39112 7.55822 5.49724 8.10448 numMergedOcc 0
17 mol 116 unq 1 iso 0 dist 8.55413 13.5312 7.39112 10.5035 5.49724 8.10448 numMergedOcc 0
18 mol 176 unq 0 iso 0 dist 8.00223 5.73429 5.58647 11.5033 6.40668 6.32146 numMergedOcc 0
19 mol 176 unq 1 iso 0 dist 9.60695 5.73429 8.5733 11.5033 10.3398 6.32146 numMergedOcc 0
20 mol 178 unq 0 iso 0 dist 6.3472 4.4872 6.53017 5.41229 4.69387 8.4173 numMergedOcc 0
21 mol 178 unq 1 iso 0 dist 6.3472 4.4872 6.53017 10.1979 7.39705 6.55543 numMergedOcc 0
22 mol 210 unq 0 iso 0 dist 8.20259 16.3871 9.41473 11.9822 5.29041 5.62219 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 6.23243 7.44283 8.15802 5.71825 3.57917 8.95821 numMergedOcc 0
24 mol 252 unq 0 iso 0 dist 5.2116 7.95139 8.63893 12.8024 9.93981 7.48298 numMergedOcc 0
25 mol 283 unq 0 iso 0 dist 9.82274 14.2357 9.90494 18.8696 11.1503 8.25636 numMergedOcc 0
26 mol 283 unq 1 iso 0 dist 9.82274 7.50757 5.90121 15.079 5.80629 9.51557 numMergedOcc 0
27 mol 283 unq 2 iso 0 dist 7.17276 8.40497 9.90494 14.2439 11.1503 8.25636 numMergedOcc 0
28 mol 283 unq 3 iso 0 dist 7.17276 8.03948 5.90121 12.9542 5.80629 9.51557 numMergedOcc 0
