0 mol 0 unq 0 iso 0 dist 9.5614 6.82018 5.55156 5.25456 7.15528 7.1599 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 5.55156 6.82018 9.5614 7.1599 7.15528 5.25456 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 9.10915 6.90646 8.66921 9.73304 9.67592 10.8918 numMergedOcc 0
3 mol 64 unq 0 iso 1 dist 8.66921 6.90646 9.10915 10.8918 9.67592 9.73304 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 9.10915 7.89535 5.54343 9.73304 9.67592 5.59762 numMergedOcc 0
5 mol 64 unq 1 iso 1 dist 5.54343 7.89535 9.10915 5.59762 9.67592 9.73304 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 8.66921 6.36389 5.54343 10.8918 9.67592 5.59762 numMergedOcc 0
7 mol 64 unq 1 iso 1 dist 5.54343 6.36389 8.66921 5.59762 9.67592 10.8918 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 5.79954 8.4863 7.01889 12.8388 9.96396 15.0744 numMergedOcc 0
9 mol 73 unq 0 iso 1 dist 7.01889 8.4863 5.79954 15.0744 9.96396 12.8388 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 5.79954 8.4863 7.01889 9.65653 9.75218 8.11922 numMergedOcc 0
11 mol 73 unq 1 iso 1 dist 7.01889 8.4863 5.79954 8.11922 9.75218 9.65653 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 5.79954 8.4863 7.01889 14.1415 9.38498 7.9573 numMergedOcc 0
13 mol 73 unq 2 iso 1 dist 7.01889 8.4863 5.79954 7.9573 9.38498 14.1415 numMergedOcc 0
14 mol 75 unq 0 iso 0 dist 7.16583 7.24623 7.118 6.77761 7.79912 5.06305 numMergedOcc 0
15 mol 75 unq 0 iso 1 dist 7.118 7.24623 7.16583 5.06305 7.79912 6.77761 numMergedOcc 0
16 mol 76 unq 0 iso 0 dist 4.83274 10.5047 7.89214 10.2219 6.97941 7.74851 numMergedOcc 0
17 mol 76 unq 0 iso 1 dist 7.89214 10.5047 4.83274 7.74851 6.97941 10.2219 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 6.09472 9.38788 8.93552 5.74878 4.99221 6.07331 numMergedOcc 0
19 mol 115 unq 0 iso 1 dist 8.93552 9.38788 6.09472 6.07331 4.99221 5.74878 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 6.09472 5.54133 6.20658 5.74878 4.99221 7.09627 numMergedOcc 0
21 mol 115 unq 1 iso 1 dist 6.20658 5.54133 6.09472 7.09627 4.99221 5.74878 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 8.93552 7.12394 6.20658 6.07331 4.99221 7.09627 numMergedOcc 0
23 mol 115 unq 1 iso 1 dist 6.20658 7.12394 8.93552 7.09627 4.99221 6.07331 numMergedOcc 0
24 mol 115 unq 2 iso 0 dist 8.35604 7.12394 7.83568 5.3967 5.11551 7.10772 numMergedOcc 0
25 mol 115 unq 2 iso 1 dist 7.83568 7.12394 8.35604 7.10772 5.11551 5.3967 numMergedOcc 0
26 mol 115 unq 3 iso 0 dist 8.35604 7.12394 7.83568 11.9798 7.11972 11.3906 numMergedOcc 0
27 mol 115 unq 3 iso 1 dist 7.83568 7.12394 8.35604 11.3906 7.11972 11.9798 numMergedOcc 0
28 mol 127 unq 0 iso 0 dist 7.73139 8.63406 6.66607 11.0785 9.30299 8.89539 numMergedOcc 0
29 mol 127 unq 0 iso 1 dist 6.66607 8.63406 7.73139 8.89539 9.30299 11.0785 numMergedOcc 0
30 mol 127 unq 1 iso 0 dist 7.73139 6.87199 8.62711 11.0785 9.30299 10.345 numMergedOcc 0
31 mol 127 unq 1 iso 1 dist 8.62711 6.87199 7.73139 10.345 9.30299 11.0785 numMergedOcc 0
32 mol 127 unq 1 iso 0 dist 6.66607 12.663 8.62711 8.89539 9.30299 10.345 numMergedOcc 0
33 mol 127 unq 1 iso 1 dist 8.62711 12.663 6.66607 10.345 9.30299 8.89539 numMergedOcc 0
34 mol 132 unq 0 iso 0 dist 6.2403 11.8902 6.495 6.04014 7.7059 10.0823 numMergedOcc 0
35 mol 132 unq 0 iso 1 dist 6.495 11.8902 6.2403 10.0823 7.7059 6.04014 numMergedOcc 0
36 mol 206 unq 0 iso 0 dist 7.10166 16.3504 9.66896 5.15743 8.02137 15.7773 numMergedOcc 0
37 mol 206 unq 0 iso 1 dist 9.66896 16.3504 7.10166 15.7773 8.02137 5.15743 numMergedOcc 0
38 mol 206 unq 1 iso 0 dist 7.10166 16.3504 9.66896 13.609 9.774 12.0196 numMergedOcc 0
39 mol 206 unq 1 iso 1 dist 9.66896 16.3504 7.10166 12.0196 9.774 13.609 numMergedOcc 0
40 mol 210 unq 0 iso 0 dist 8.07523 4.80965 7.56882 13.3929 6.18308 12.3088 numMergedOcc 0
41 mol 210 unq 0 iso 1 dist 7.56882 4.80965 8.07523 12.3088 6.18308 13.3929 numMergedOcc 0
42 mol 210 unq 1 iso 0 dist 6.53736 7.38798 8.18851 11.5481 6.18308 8.72811 numMergedOcc 0
43 mol 210 unq 1 iso 1 dist 8.18851 7.38798 6.53736 8.72811 6.18308 11.5481 numMergedOcc 0
44 mol 214 unq 0 iso 0 dist 9.40003 17.6476 8.68385 16.5528 9.65138 10.2443 numMergedOcc 0
45 mol 214 unq 0 iso 1 dist 8.68385 17.6476 9.40003 10.2443 9.65138 16.5528 numMergedOcc 0
46 mol 214 unq 1 iso 0 dist 9.40003 17.6476 8.68385 9.11345 7.14453 12.5421 numMergedOcc 0
47 mol 214 unq 1 iso 1 dist 8.68385 17.6476 9.40003 12.5421 7.14453 9.11345 numMergedOcc 0
48 mol 214 unq 2 iso 0 dist 9.40003 17.6476 8.68385 16.922 8.85478 9.18071 numMergedOcc 0
49 mol 214 unq 2 iso 1 dist 8.68385 17.6476 9.40003 9.18071 8.85478 16.922 numMergedOcc 0
50 mol 230 unq 0 iso 0 dist 8.33847 5.96129 9.12305 7.37154 6.7547 9.0274 numMergedOcc 0
51 mol 230 unq 0 iso 1 dist 9.12305 5.96129 8.33847 9.0274 6.7547 7.37154 numMergedOcc 0
52 mol 253 unq 0 iso 0 dist 8.53729 5.50591 8.07341 16.1265 9.02271 16.581 numMergedOcc 0
53 mol 253 unq 0 iso 1 dist 8.07341 5.50591 8.53729 16.581 9.02271 16.1265 numMergedOcc 0
54 mol 258 unq 0 iso 0 dist 7.9357 7.64421 8.81059 8.73372 6.42289 9.78068 numMergedOcc 0
55 mol 258 unq 0 iso 1 dist 8.81059 7.64421 7.9357 9.78068 6.42289 8.73372 numMergedOcc 0
56 mol 261 unq 0 iso 0 dist 8.50313 4.70691 7.6414 13.3163 8.45658 13.6041 numMergedOcc 0
57 mol 261 unq 0 iso 1 dist 7.6414 4.70691 8.50313 13.6041 8.45658 13.3163 numMergedOcc 0
58 mol 272 unq 0 iso 0 dist 8.82094 11.3373 9.80332 4.78295 8.48753 8.26567 numMergedOcc 0
59 mol 272 unq 0 iso 1 dist 9.80332 11.3373 8.82094 8.26567 8.48753 4.78295 numMergedOcc 0
60 mol 274 unq 0 iso 0 dist 6.21831 10.1431 8.3291 6.11218 9.10818 6.98398 numMergedOcc 0
61 mol 274 unq 0 iso 1 dist 8.3291 10.1431 6.21831 6.98398 9.10818 6.11218 numMergedOcc 0
