0 mol 46 unq 0 iso 0 dist 7.57749 14.9502 8.55202 14.3993 9.9787 4.53545 numMergedOcc 0
1 mol 46 unq 0 iso 1 dist 8.55202 14.9502 7.57749 4.53545 9.9787 14.3993 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 7.32064 3.93133 4.62314 7.17843 6.85523 4.4651 numMergedOcc 0
3 mol 78 unq 0 iso 1 dist 4.62314 3.93133 7.32064 4.4651 6.85523 7.17843 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 7.32064 3.93133 4.62314 13.1649 8.65848 9.31889 numMergedOcc 0
5 mol 78 unq 1 iso 1 dist 4.62314 3.93133 7.32064 9.31889 8.65848 13.1649 numMergedOcc 0
6 mol 78 unq 2 iso 0 dist 5.85007 3.93133 6.35234 7.17843 5.77326 4.4651 numMergedOcc 0
7 mol 78 unq 2 iso 1 dist 6.35234 3.93133 5.85007 4.4651 5.77326 7.17843 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 5.33961 8.92716 9.29816 11.1668 9.64383 5.70962 numMergedOcc 0
9 mol 98 unq 0 iso 1 dist 9.29816 8.92716 5.33961 5.70962 9.64383 11.1668 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.33961 8.92716 9.29816 12.7318 7.54889 14.676 numMergedOcc 0
11 mol 98 unq 1 iso 1 dist 9.29816 8.92716 5.33961 14.676 7.54889 12.7318 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 5.33961 8.92716 9.29816 12.3835 7.78931 16.3389 numMergedOcc 0
13 mol 98 unq 2 iso 1 dist 9.29816 8.92716 5.33961 16.3389 7.78931 12.3835 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 5.33961 9.29713 5.08983 11.1668 9.64383 10.1978 numMergedOcc 0
15 mol 98 unq 3 iso 1 dist 5.08983 9.29713 5.33961 10.1978 9.64383 11.1668 numMergedOcc 0
16 mol 98 unq 4 iso 0 dist 5.33961 9.29713 5.08983 12.7318 7.54889 7.1452 numMergedOcc 0
17 mol 98 unq 4 iso 1 dist 5.08983 9.29713 5.33961 7.1452 7.54889 12.7318 numMergedOcc 0
18 mol 98 unq 5 iso 0 dist 5.33961 9.29713 5.08983 12.3835 7.78931 4.96747 numMergedOcc 0
19 mol 98 unq 5 iso 1 dist 5.08983 9.29713 5.33961 4.96747 7.78931 12.3835 numMergedOcc 0
20 mol 98 unq 6 iso 0 dist 7.34638 4.24815 6.0995 10.4417 7.02507 9.63267 numMergedOcc 0
21 mol 98 unq 6 iso 1 dist 6.0995 4.24815 7.34638 9.63267 7.02507 10.4417 numMergedOcc 0
22 mol 98 unq 3 iso 0 dist 9.29816 12.4118 5.08983 5.70962 9.64383 10.1978 numMergedOcc 0
23 mol 98 unq 3 iso 1 dist 5.08983 12.4118 9.29816 10.1978 9.64383 5.70962 numMergedOcc 0
24 mol 98 unq 4 iso 0 dist 9.29816 12.4118 5.08983 14.676 7.54889 7.1452 numMergedOcc 0
25 mol 98 unq 4 iso 1 dist 5.08983 12.4118 9.29816 7.1452 7.54889 14.676 numMergedOcc 0
26 mol 98 unq 5 iso 0 dist 9.29816 12.4118 5.08983 16.3389 7.78931 4.96747 numMergedOcc 0
27 mol 98 unq 5 iso 1 dist 5.08983 12.4118 9.29816 4.96747 7.78931 16.3389 numMergedOcc 0
28 mol 109 unq 0 iso 0 dist 9.46621 6.79125 9.94704 10.404 9.89083 14.8479 numMergedOcc 0
29 mol 109 unq 0 iso 1 dist 9.94704 6.79125 9.46621 14.8479 9.89083 10.404 numMergedOcc 0
30 mol 109 unq 1 iso 0 dist 9.46621 6.79125 9.94704 10.6893 8.52024 11.5656 numMergedOcc 0
31 mol 109 unq 1 iso 1 dist 9.94704 6.79125 9.46621 11.5656 8.52024 10.6893 numMergedOcc 0
32 mol 113 unq 0 iso 0 dist 6.12348 11.0841 7.2672 14.0364 8.80934 12.1308 numMergedOcc 0
33 mol 113 unq 0 iso 1 dist 7.2672 11.0841 6.12348 12.1308 8.80934 14.0364 numMergedOcc 0
34 mol 117 unq 0 iso 0 dist 6.78655 5.70541 9.42037 5.27151 8.19331 10.6616 numMergedOcc 0
35 mol 117 unq 0 iso 1 dist 9.42037 5.70541 6.78655 10.6616 8.19331 5.27151 numMergedOcc 0
36 mol 117 unq 1 iso 0 dist 6.78655 5.70541 9.42037 4.45276 8.85711 4.98254 numMergedOcc 0
37 mol 117 unq 1 iso 1 dist 9.42037 5.70541 6.78655 4.98254 8.85711 4.45276 numMergedOcc 0
38 mol 129 unq 0 iso 0 dist 6.53559 10.4144 8.09774 6.43966 5.51197 5.56946 numMergedOcc 0
39 mol 129 unq 0 iso 1 dist 8.09774 10.4144 6.53559 5.56946 5.51197 6.43966 numMergedOcc 0
40 mol 205 unq 0 iso 0 dist 6.41148 4.20051 5.06713 4.2475 6.49765 6.8901 numMergedOcc 0
41 mol 205 unq 0 iso 1 dist 5.06713 4.20051 6.41148 6.8901 6.49765 4.2475 numMergedOcc 0
42 mol 223 unq 0 iso 0 dist 9.6936 4.00983 9.36733 8.78003 9.33543 5.33327 numMergedOcc 0
43 mol 223 unq 0 iso 1 dist 9.36733 4.00983 9.6936 5.33327 9.33543 8.78003 numMergedOcc 0
44 mol 233 unq 0 iso 0 dist 7.1229 10.3006 9.55705 6.52848 8.51625 5.51 numMergedOcc 0
45 mol 233 unq 0 iso 1 dist 9.55705 10.3006 7.1229 5.51 8.51625 6.52848 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 7.13727 5.00891 8.56975 6.45589 9.12776 9.23693 numMergedOcc 0
47 mol 238 unq 0 iso 1 dist 8.56975 5.00891 7.13727 9.23693 9.12776 6.45589 numMergedOcc 0
48 mol 238 unq 1 iso 0 dist 7.13727 5.00891 8.56975 12.521 9.72188 9.18011 numMergedOcc 0
49 mol 238 unq 1 iso 1 dist 8.56975 5.00891 7.13727 9.18011 9.72188 12.521 numMergedOcc 0
50 mol 264 unq 0 iso 0 dist 9.13546 12.3243 7.19658 11.5671 9.19754 5.21164 numMergedOcc 0
51 mol 264 unq 0 iso 1 dist 7.19658 12.3243 9.13546 5.21164 9.19754 11.5671 numMergedOcc 0
52 mol 264 unq 1 iso 0 dist 9.13546 12.3243 7.19658 13.8765 8.29262 6.12009 numMergedOcc 0
53 mol 264 unq 1 iso 1 dist 7.19658 12.3243 9.13546 6.12009 8.29262 13.8765 numMergedOcc 0
