0 mol 27 unq 0 iso 0 dist 9.62305 9.40953 13.8902 8.16102 10.9668 3.21417 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 9.62305 9.57896 8.7053 8.16102 10.9668 4.96577 numMergedOcc 0
2 mol 103 unq 0 iso 0 dist 8.68825 9.43076 13.5811 7.85115 3.56771 14.3087 numMergedOcc 0
3 mol 123 unq 0 iso 0 dist 9.07528 8.36221 9.7027 8.09329 4.12403 11.5607 numMergedOcc 0
4 mol 123 unq 1 iso 0 dist 9.07528 8.36221 9.7027 5.80266 8.58632 3.3389 numMergedOcc 0
5 mol 123 unq 2 iso 0 dist 6.0636 8.6441 14.0286 5.18305 7.0654 8.42496 numMergedOcc 0
6 mol 123 unq 3 iso 0 dist 6.0636 8.6441 14.0286 6.13025 6.04079 11.5607 numMergedOcc 0
7 mol 123 unq 4 iso 0 dist 6.0636 8.6441 14.0286 6.78431 12.3656 3.3389 numMergedOcc 0
8 mol 123 unq 5 iso 0 dist 6.24626 8.6441 9.7027 5.18305 4.43225 8.42496 numMergedOcc 0
9 mol 123 unq 6 iso 0 dist 6.24626 8.6441 9.7027 6.13025 4.12403 11.5607 numMergedOcc 0
10 mol 123 unq 7 iso 0 dist 6.24626 8.6441 9.7027 6.78431 8.58632 3.3389 numMergedOcc 0
11 mol 148 unq 0 iso 0 dist 9.69869 9.8506 11.6297 7.91749 5.51921 13.5156 numMergedOcc 0
12 mol 148 unq 1 iso 0 dist 4.7785 9.8506 9.62909 7.91749 4.43652 13.5156 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 9.67177 9.91991 11.7198 7.96309 5.45164 13.6094 numMergedOcc 0
14 mol 150 unq 1 iso 0 dist 4.79493 9.91991 9.66857 7.96309 4.48089 13.6094 numMergedOcc 0
15 mol 168 unq 0 iso 0 dist 8.75994 4.68544 9.05528 8.1953 15.0192 8.60565 numMergedOcc 0
16 mol 168 unq 1 iso 0 dist 8.75994 4.68544 9.05528 8.16253 12.9336 5.62227 numMergedOcc 0
17 mol 168 unq 2 iso 0 dist 6.80155 4.68544 6.84998 8.1953 7.8982 8.60565 numMergedOcc 0
18 mol 168 unq 3 iso 0 dist 6.80155 4.68544 6.84998 8.16253 6.7031 5.62227 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 5.87728 9.53656 6.14273 9.35481 8.28234 14.4056 numMergedOcc 0
20 mol 184 unq 1 iso 0 dist 5.87728 9.53656 6.14273 9.11936 11.5516 15.3702 numMergedOcc 0
21 mol 184 unq 2 iso 0 dist 5.87728 9.53656 6.14273 8.20517 9.74321 9.99712 numMergedOcc 0
22 mol 184 unq 3 iso 0 dist 5.87728 7.06562 6.8288 9.35481 8.28234 5.54499 numMergedOcc 0
23 mol 184 unq 4 iso 0 dist 5.87728 7.06562 6.8288 9.11936 11.5516 6.15375 numMergedOcc 0
24 mol 184 unq 5 iso 0 dist 5.87728 7.06562 6.8288 8.20517 9.74321 9.56022 numMergedOcc 0
25 mol 184 unq 6 iso 0 dist 6.71538 9.53656 11.7559 9.35481 10.4763 14.4056 numMergedOcc 0
26 mol 184 unq 7 iso 0 dist 6.71538 9.53656 11.7559 9.11936 3.67094 15.3702 numMergedOcc 0
27 mol 184 unq 8 iso 0 dist 6.71538 9.53656 11.7559 8.20517 5.06572 9.99712 numMergedOcc 0
28 mol 184 unq 9 iso 0 dist 6.71538 7.06562 5.14314 9.35481 10.4763 5.54499 numMergedOcc 0
29 mol 184 unq 10 iso 0 dist 6.71538 7.06562 5.14314 9.11936 3.67094 6.15375 numMergedOcc 0
30 mol 184 unq 11 iso 0 dist 6.71538 7.06562 5.14314 8.20517 5.06572 9.56022 numMergedOcc 0
31 mol 184 unq 12 iso 0 dist 8.58856 9.53656 6.51384 9.35481 15.0094 14.4056 numMergedOcc 0
32 mol 184 unq 13 iso 0 dist 8.58856 9.53656 6.51384 9.11936 11.1303 15.3702 numMergedOcc 0
33 mol 184 unq 14 iso 0 dist 8.58856 9.53656 6.51384 8.20517 3.88336 9.99712 numMergedOcc 0
34 mol 184 unq 15 iso 0 dist 8.58856 7.06562 10.6226 9.35481 15.0094 5.54499 numMergedOcc 0
35 mol 184 unq 16 iso 0 dist 8.58856 7.06562 10.6226 9.11936 11.1303 6.15375 numMergedOcc 0
36 mol 184 unq 17 iso 0 dist 8.58856 7.06562 10.6226 8.20517 3.88336 9.56022 numMergedOcc 0
37 mol 184 unq 18 iso 0 dist 6.76009 8.32647 9.48007 6.03505 3.88336 11.1533 numMergedOcc 0
38 mol 184 unq 19 iso 0 dist 6.76009 8.32647 9.48007 6.30144 7.34488 3.74437 numMergedOcc 0
39 mol 198 unq 0 iso 0 dist 7.48163 8.80827 9.77182 6.13687 6.76174 12.096 numMergedOcc 0
40 mol 198 unq 1 iso 0 dist 7.48163 8.17562 5.50315 6.13687 6.76174 3.4601 numMergedOcc 0
41 mol 218 unq 0 iso 0 dist 8.39955 5.92364 6.50955 8.5458 8.0396 6.16586 numMergedOcc 0
42 mol 285 unq 0 iso 0 dist 5.32578 7.63933 4.3249 6.94666 6.01515 3.14843 numMergedOcc 0
