0 mol 5 unq 0 iso 0 dist 8.85329 6.84403 4.51071 6.46777 11.2967 7.64769 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.85329 6.84403 4.51071 3.82801 11.6275 8.31759 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 8.85329 5.18743 3.69127 6.46777 11.2967 8.68577 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 8.85329 5.18743 3.69127 3.82801 11.6275 8.13672 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 9.48095 6.14086 12.3025 6.82151 12.5879 8.53424 numMergedOcc 0
5 mol 28 unq 1 iso 0 dist 9.48095 6.31487 14.5006 6.82151 12.5879 7.08766 numMergedOcc 0
6 mol 28 unq 2 iso 0 dist 9.48095 7.07851 14.231 6.82151 12.5879 4.82199 numMergedOcc 0
7 mol 28 unq 3 iso 0 dist 8.85208 6.76158 12.3025 4.3475 12.5879 8.53424 numMergedOcc 0
8 mol 28 unq 4 iso 0 dist 8.85208 7.423 14.5006 4.3475 12.5879 7.08766 numMergedOcc 0
9 mol 28 unq 5 iso 0 dist 8.85208 5.89257 14.231 4.3475 12.5879 4.82199 numMergedOcc 0
10 mol 28 unq 6 iso 0 dist 9.04974 6.76158 13.7096 4.3475 10.9751 8.53424 numMergedOcc 0
11 mol 28 unq 7 iso 0 dist 9.04974 7.423 14.8826 4.3475 10.9751 7.08766 numMergedOcc 0
12 mol 28 unq 8 iso 0 dist 9.04974 5.89257 12.4379 4.3475 10.9751 4.82199 numMergedOcc 0
13 mol 29 unq 0 iso 0 dist 8.84033 8.00338 9.09595 4.45723 9.03639 9.2087 numMergedOcc 0
14 mol 29 unq 1 iso 0 dist 8.46734 8.00338 8.36994 4.45723 12.5391 9.2087 numMergedOcc 0
15 mol 34 unq 0 iso 0 dist 8.35897 7.32472 10.6836 4.61111 10.7497 4.75881 numMergedOcc 0
16 mol 46 unq 0 iso 0 dist 6.64844 8.13664 6.81182 8.59614 7.44805 3.77542 numMergedOcc 0
17 mol 48 unq 0 iso 0 dist 9.41551 9.80453 5.81633 8.42234 10.5189 9.05737 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 6.35449 6.91039 3.66518 4.62104 6.38786 4.3855 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 8.621 7.22151 11.0751 3.64687 6.35772 9.54529 numMergedOcc 0
20 mol 243 unq 0 iso 0 dist 9.87759 8.35328 16.8852 6.56644 14.3054 4.55853 numMergedOcc 0
21 mol 243 unq 1 iso 0 dist 6.0854 8.35328 13.8942 6.56644 11.0672 4.55853 numMergedOcc 0
22 mol 243 unq 2 iso 0 dist 7.86504 8.35328 14.2309 6.56644 12.8459 4.55853 numMergedOcc 0
23 mol 260 unq 0 iso 0 dist 8.67835 7.22473 9.45061 7.91474 4.76164 8.62655 numMergedOcc 0
24 mol 260 unq 1 iso 0 dist 8.67835 6.02628 13.0341 5.30931 12.6573 7.04263 numMergedOcc 0
25 mol 260 unq 2 iso 0 dist 5.72892 7.13397 11.064 4.38276 9.50592 8.62655 numMergedOcc 0
26 mol 260 unq 3 iso 0 dist 5.72892 5.33278 4.03195 8.90225 9.53846 6.48099 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 9.21126 4.97488 5.9419 4.34603 11.5329 8.07775 numMergedOcc 0
