0 mol 13 unq 0 iso 0 dist 5.04036 14.1787 9.44958 11.1067 8.00865 11.4587 numMergedOcc 0
1 mol 13 unq 0 iso 1 dist 9.44958 14.1787 5.04036 11.4587 8.00865 11.1067 numMergedOcc 0
2 mol 13 unq 1 iso 0 dist 5.04036 14.1787 9.44958 13.4623 9.11447 4.14738 numMergedOcc 0
3 mol 13 unq 1 iso 1 dist 9.44958 14.1787 5.04036 4.14738 9.11447 13.4623 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 6.73259 9.75008 8.60352 10.1809 7.61055 4.53839 numMergedOcc 0
5 mol 26 unq 0 iso 1 dist 8.60352 9.75008 6.73259 4.53839 7.61055 10.1809 numMergedOcc 0
6 mol 74 unq 0 iso 0 dist 9.43699 9.33602 5.23115 10.1834 4.79413 3.94075 numMergedOcc 0
7 mol 74 unq 0 iso 1 dist 5.23115 9.33602 9.43699 3.94075 4.79413 10.1834 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 8.42713 16.5604 8.21032 12.5605 7.85041 10.878 numMergedOcc 0
9 mol 93 unq 0 iso 1 dist 8.21032 16.5604 8.42713 10.878 7.85041 12.5605 numMergedOcc 0
10 mol 128 unq 0 iso 0 dist 9.85832 6.8513 7.49024 10.7037 9.89462 8.80709 numMergedOcc 0
11 mol 128 unq 0 iso 1 dist 7.49024 6.8513 9.85832 8.80709 9.89462 10.7037 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 7.62584 10.5547 7.39532 4.9574 6.42785 6.53156 numMergedOcc 0
13 mol 130 unq 0 iso 1 dist 7.39532 10.5547 7.62584 6.53156 6.42785 4.9574 numMergedOcc 0
14 mol 151 unq 0 iso 0 dist 5.87912 7.57396 7.06678 6.2508 5.63814 5.32583 numMergedOcc 0
15 mol 151 unq 0 iso 1 dist 7.06678 7.57396 5.87912 5.32583 5.63814 6.2508 numMergedOcc 0
16 mol 163 unq 0 iso 0 dist 8.12896 9.32116 8.88092 4.06532 5.92747 5.93645 numMergedOcc 0
17 mol 163 unq 0 iso 1 dist 8.88092 9.32116 8.12896 5.93645 5.92747 4.06532 numMergedOcc 0
18 mol 163 unq 1 iso 0 dist 9.3832 13.3451 6.0247 14.7696 8.21476 6.00005 numMergedOcc 0
19 mol 163 unq 1 iso 1 dist 6.0247 13.3451 9.3832 6.00005 8.21476 14.7696 numMergedOcc 0
20 mol 163 unq 2 iso 0 dist 9.3832 13.3451 6.0247 9.55472 7.66897 6.69711 numMergedOcc 0
21 mol 163 unq 2 iso 1 dist 6.0247 13.3451 9.3832 6.69711 7.66897 9.55472 numMergedOcc 0
22 mol 163 unq 3 iso 0 dist 9.3832 10.5194 6.40873 14.7696 8.21476 9.09427 numMergedOcc 0
23 mol 163 unq 3 iso 1 dist 6.40873 10.5194 9.3832 9.09427 8.21476 14.7696 numMergedOcc 0
24 mol 163 unq 4 iso 0 dist 9.3832 10.5194 6.40873 9.55472 7.66897 5.45003 numMergedOcc 0
25 mol 163 unq 4 iso 1 dist 6.40873 10.5194 9.3832 5.45003 7.66897 9.55472 numMergedOcc 0
26 mol 163 unq 3 iso 0 dist 6.0247 4.36743 6.40873 6.00005 8.21476 9.09427 numMergedOcc 0
27 mol 163 unq 3 iso 1 dist 6.40873 4.36743 6.0247 9.09427 8.21476 6.00005 numMergedOcc 0
28 mol 163 unq 4 iso 0 dist 6.0247 4.36743 6.40873 6.69711 7.66897 5.45003 numMergedOcc 0
29 mol 163 unq 4 iso 1 dist 6.40873 4.36743 6.0247 5.45003 7.66897 6.69711 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 9.91705 10.8028 7.92476 6.24616 5.49808 5.56759 numMergedOcc 0
31 mol 181 unq 0 iso 1 dist 7.92476 10.8028 9.91705 5.56759 5.49808 6.24616 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 9.91705 10.8028 7.92476 12.5567 7.96291 4.43465 numMergedOcc 0
33 mol 181 unq 1 iso 1 dist 7.92476 10.8028 9.91705 4.43465 7.96291 12.5567 numMergedOcc 0
34 mol 250 unq 0 iso 0 dist 9.43554 17.2728 9.21681 14.0983 8.70484 10.9117 numMergedOcc 0
35 mol 250 unq 0 iso 1 dist 9.21681 17.2728 9.43554 10.9117 8.70484 14.0983 numMergedOcc 0
36 mol 252 unq 0 iso 0 dist 9.81593 17.9543 9.78248 7.31906 5.2361 12.8039 numMergedOcc 0
37 mol 252 unq 0 iso 1 dist 9.78248 17.9543 9.81593 12.8039 5.2361 7.31906 numMergedOcc 0
38 mol 252 unq 1 iso 0 dist 9.81593 17.9543 9.78248 12.2338 5.57515 8.32839 numMergedOcc 0
39 mol 252 unq 1 iso 1 dist 9.78248 17.9543 9.81593 8.32839 5.57515 12.2338 numMergedOcc 0
40 mol 252 unq 2 iso 0 dist 9.81593 17.9543 9.78248 14.2535 8.28694 5.63228 numMergedOcc 0
41 mol 252 unq 2 iso 1 dist 9.78248 17.9543 9.81593 5.63228 8.28694 14.2535 numMergedOcc 0
42 mol 264 unq 0 iso 0 dist 8.28871 12.3243 7.94668 9.63193 9.42738 12.2052 numMergedOcc 0
43 mol 264 unq 0 iso 1 dist 7.94668 12.3243 8.28871 12.2052 9.42738 9.63193 numMergedOcc 0
