0 mol 20 unq 0 iso 0 dist 9.14371 4.14436 6.09764 9.3714 9.20198 6.05053 numMergedOcc 0
1 mol 20 unq 0 iso 1 dist 9.14371 9.3714 9.20198 4.14436 6.09764 6.05053 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.13365 7.1011 7.33768 10.8208 9.01567 7.88693 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 8.13365 10.8208 9.01567 7.1011 7.33768 7.88693 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.13365 7.1011 7.33768 13.3998 7.29868 10.2653 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 8.13365 13.3998 7.29868 7.1011 7.33768 10.2653 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.13365 10.8208 9.01567 13.3998 7.29868 6.16544 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 8.13365 13.3998 7.29868 10.8208 9.01567 6.16544 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 6.80849 14.1707 8.60554 6.3045 8.44664 14.1496 numMergedOcc 0
9 mol 24 unq 2 iso 1 dist 6.80849 6.3045 8.44664 14.1707 8.60554 14.1496 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 6.80849 14.1707 8.60554 9.47767 9.44691 9.62033 numMergedOcc 0
11 mol 24 unq 3 iso 1 dist 6.80849 9.47767 9.44691 14.1707 8.60554 9.62033 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 6.80849 6.3045 8.44664 9.47767 9.44691 10.4263 numMergedOcc 0
13 mol 24 unq 3 iso 1 dist 6.80849 9.47767 9.44691 6.3045 8.44664 10.4263 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 6.00307 6.03478 6.16347 9.60684 7.92503 12.7398 numMergedOcc 0
15 mol 25 unq 0 iso 1 dist 6.00307 9.60684 7.92503 6.03478 6.16347 12.7398 numMergedOcc 0
16 mol 65 unq 0 iso 0 dist 9.75927 4.37601 6.72639 9.13935 9.34791 5.56801 numMergedOcc 0
17 mol 65 unq 0 iso 1 dist 9.75927 9.13935 9.34791 4.37601 6.72639 5.56801 numMergedOcc 0
18 mol 91 unq 0 iso 0 dist 8.00525 5.75219 9.30539 12.8512 9.01176 9.17687 numMergedOcc 0
19 mol 91 unq 0 iso 1 dist 8.00525 12.8512 9.01176 5.75219 9.30539 9.17687 numMergedOcc 0
20 mol 108 unq 0 iso 0 dist 5.45787 5.35819 9.01852 6.01187 9.75958 8.93829 numMergedOcc 0
21 mol 108 unq 0 iso 1 dist 5.45787 6.01187 9.75958 5.35819 9.01852 8.93829 numMergedOcc 0
22 mol 113 unq 0 iso 0 dist 8.29529 5.89952 8.8822 5.58964 9.66219 4.09459 numMergedOcc 0
23 mol 113 unq 0 iso 1 dist 8.29529 5.58964 9.66219 5.89952 8.8822 4.09459 numMergedOcc 0
24 mol 122 unq 0 iso 0 dist 8.054 5.97096 8.88537 4.4646 9.23819 5.03547 numMergedOcc 0
25 mol 122 unq 0 iso 1 dist 8.054 4.4646 9.23819 5.97096 8.88537 5.03547 numMergedOcc 0
26 mol 129 unq 0 iso 0 dist 6.47346 10.8332 9.36851 5.75407 4.97175 5.41583 numMergedOcc 0
27 mol 129 unq 0 iso 1 dist 6.47346 5.75407 4.97175 10.8332 9.36851 5.41583 numMergedOcc 0
28 mol 174 unq 0 iso 0 dist 6.90813 6.07412 8.87569 7.20832 9.87122 4.17687 numMergedOcc 0
29 mol 174 unq 0 iso 1 dist 6.90813 7.20832 9.87122 6.07412 8.87569 4.17687 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 9.50454 6.15536 5.9176 14.7795 6.41453 9.53592 numMergedOcc 0
31 mol 181 unq 0 iso 1 dist 9.50454 14.7795 6.41453 6.15536 5.9176 9.53592 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 8.80581 10.5065 5.9176 6.04759 6.41453 9.53592 numMergedOcc 0
33 mol 181 unq 1 iso 1 dist 8.80581 6.04759 6.41453 10.5065 5.9176 9.53592 numMergedOcc 0
34 mol 197 unq 0 iso 0 dist 9.14737 14.372 7.50013 14.6749 5.81233 5.33623 numMergedOcc 0
35 mol 197 unq 0 iso 1 dist 9.14737 14.6749 5.81233 14.372 7.50013 5.33623 numMergedOcc 0
36 mol 197 unq 1 iso 0 dist 9.14737 14.372 7.50013 5.9589 6.92924 9.20574 numMergedOcc 0
37 mol 197 unq 1 iso 1 dist 9.14737 5.9589 6.92924 14.372 7.50013 9.20574 numMergedOcc 0
38 mol 197 unq 2 iso 0 dist 9.14737 14.372 7.50013 9.27427 7.14306 10.8407 numMergedOcc 0
39 mol 197 unq 2 iso 1 dist 9.14737 9.27427 7.14306 14.372 7.50013 10.8407 numMergedOcc 0
40 mol 197 unq 1 iso 0 dist 9.14737 14.6749 5.81233 5.9589 6.92924 11.2132 numMergedOcc 0
41 mol 197 unq 1 iso 1 dist 9.14737 5.9589 6.92924 14.6749 5.81233 11.2132 numMergedOcc 0
42 mol 197 unq 2 iso 0 dist 9.14737 14.6749 5.81233 9.27427 7.14306 9.56047 numMergedOcc 0
43 mol 197 unq 2 iso 1 dist 9.14737 9.27427 7.14306 14.6749 5.81233 9.56047 numMergedOcc 0
44 mol 197 unq 2 iso 0 dist 9.14737 5.9589 6.92924 9.27427 7.14306 8.81358 numMergedOcc 0
45 mol 197 unq 2 iso 1 dist 9.14737 9.27427 7.14306 5.9589 6.92924 8.81358 numMergedOcc 0
46 mol 206 unq 0 iso 0 dist 7.94694 8.91883 6.16414 8.83227 7.33701 6.46458 numMergedOcc 0
47 mol 206 unq 0 iso 1 dist 7.94694 8.83227 7.33701 8.91883 6.16414 6.46458 numMergedOcc 0
48 mol 206 unq 1 iso 0 dist 7.94694 8.91883 6.16414 10.6714 8.0871 9.9892 numMergedOcc 0
49 mol 206 unq 1 iso 1 dist 7.94694 10.6714 8.0871 8.91883 6.16414 9.9892 numMergedOcc 0
50 mol 206 unq 1 iso 0 dist 7.94694 8.83227 7.33701 10.6714 8.0871 4.38701 numMergedOcc 0
51 mol 206 unq 1 iso 1 dist 7.94694 10.6714 8.0871 8.83227 7.33701 4.38701 numMergedOcc 0
52 mol 212 unq 0 iso 0 dist 8.13678 12.4498 9.74144 10.0809 8.69988 12.5482 numMergedOcc 0
53 mol 212 unq 0 iso 1 dist 8.13678 10.0809 8.69988 12.4498 9.74144 12.5482 numMergedOcc 0
54 mol 212 unq 1 iso 0 dist 8.13678 12.4498 9.74144 6.27773 8.55903 15.0034 numMergedOcc 0
55 mol 212 unq 1 iso 1 dist 8.13678 6.27773 8.55903 12.4498 9.74144 15.0034 numMergedOcc 0
56 mol 212 unq 2 iso 0 dist 8.13678 12.4498 9.74144 10.1594 7.15603 5.24023 numMergedOcc 0
57 mol 212 unq 2 iso 1 dist 8.13678 10.1594 7.15603 12.4498 9.74144 5.24023 numMergedOcc 0
58 mol 212 unq 1 iso 0 dist 8.13678 10.0809 8.69988 6.27773 8.55903 6.18191 numMergedOcc 0
59 mol 212 unq 1 iso 1 dist 8.13678 6.27773 8.55903 10.0809 8.69988 6.18191 numMergedOcc 0
60 mol 212 unq 2 iso 0 dist 8.13678 10.0809 8.69988 10.1594 7.15603 7.34372 numMergedOcc 0
61 mol 212 unq 2 iso 1 dist 8.13678 10.1594 7.15603 10.0809 8.69988 7.34372 numMergedOcc 0
62 mol 212 unq 2 iso 0 dist 8.13678 6.27773 8.55903 10.1594 7.15603 10.7093 numMergedOcc 0
63 mol 212 unq 2 iso 1 dist 8.13678 10.1594 7.15603 6.27773 8.55903 10.7093 numMergedOcc 0
64 mol 213 unq 0 iso 0 dist 7.22234 6.51731 7.37798 12.2528 7.73322 13.2902 numMergedOcc 0
65 mol 213 unq 0 iso 1 dist 7.22234 12.2528 7.73322 6.51731 7.37798 13.2902 numMergedOcc 0
66 mol 213 unq 1 iso 0 dist 5.86501 4.40169 7.37798 9.42696 7.73322 13.2902 numMergedOcc 0
67 mol 213 unq 1 iso 1 dist 5.86501 9.42696 7.73322 4.40169 7.37798 13.2902 numMergedOcc 0
68 mol 243 unq 0 iso 0 dist 8.69557 6.86882 8.76935 10.1903 8.47652 4.52689 numMergedOcc 0
69 mol 243 unq 0 iso 1 dist 8.69557 10.1903 8.47652 6.86882 8.76935 4.52689 numMergedOcc 0
70 mol 243 unq 1 iso 0 dist 4.89168 5.73931 8.76935 4.41191 8.47652 4.52689 numMergedOcc 0
71 mol 243 unq 1 iso 1 dist 4.89168 4.41191 8.47652 5.73931 8.76935 4.52689 numMergedOcc 0
