0 mol 10 unq 0 iso 0 dist 9.09758 6.55806 5.59965 6.72359 7.8329 9.76721 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 7.05626 10.0977 7.98326 12.3213 9.81983 6.76736 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 7.05626 6.5069 7.90478 12.3213 9.81983 13.5186 numMergedOcc 0
3 mol 15 unq 0 iso 0 dist 5.94245 9.867 6.03257 4.21233 6.31608 11.6414 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.01238 13.0316 6.56527 11.3323 9.11311 12.5394 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 8.58319 16.5457 8.29857 9.02334 8.12997 12.4707 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 8.58319 16.5457 8.29857 10.5927 6.13153 8.98812 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 8.58319 16.5457 8.29857 13.7714 5.7836 3.50984 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 8.58319 16.5457 8.29857 8.34343 7.32996 11.7253 numMergedOcc 0
9 mol 48 unq 4 iso 0 dist 8.58319 16.5457 8.29857 4.67004 5.89173 12.69 numMergedOcc 0
10 mol 48 unq 5 iso 0 dist 8.31952 16.2911 8.19993 8.81271 7.84895 12.5401 numMergedOcc 0
11 mol 48 unq 6 iso 0 dist 8.31952 16.2911 8.19993 10.3594 5.8541 9.01489 numMergedOcc 0
12 mol 48 unq 7 iso 0 dist 8.31952 16.2911 8.19993 13.5251 5.82264 3.65036 numMergedOcc 0
13 mol 48 unq 8 iso 0 dist 8.31952 16.2911 8.19993 8.11968 7.20729 11.7978 numMergedOcc 0
14 mol 48 unq 9 iso 0 dist 8.31952 16.2911 8.19993 4.70736 5.72703 12.5721 numMergedOcc 0
15 mol 53 unq 0 iso 0 dist 8.69565 6.40069 8.94227 4.79316 8.19958 10.4706 numMergedOcc 0
16 mol 54 unq 0 iso 0 dist 6.54052 11.754 9.17082 11.8083 5.27979 10.1434 numMergedOcc 0
17 mol 55 unq 0 iso 0 dist 9.3341 14.1948 9.93096 10.9631 6.76315 3.56023 numMergedOcc 0
18 mol 79 unq 0 iso 0 dist 6.9297 12.6241 9.78384 8.47393 6.86517 5.84075 numMergedOcc 0
19 mol 91 unq 0 iso 0 dist 7.42828 9.18905 8.66165 6.21311 9.97813 5.21888 numMergedOcc 0
20 mol 91 unq 1 iso 0 dist 5.98441 8.00102 8.66165 7.17072 9.97813 5.21888 numMergedOcc 0
21 mol 91 unq 2 iso 0 dist 5.45873 11.1564 8.66165 10.0233 9.97813 5.21888 numMergedOcc 0
22 mol 93 unq 0 iso 0 dist 8.29506 4.41856 8.74378 8.25205 5.56839 5.90646 numMergedOcc 0
23 mol 93 unq 1 iso 0 dist 7.24843 4.39585 8.74378 3.27874 5.56839 5.90646 numMergedOcc 0
24 mol 93 unq 2 iso 0 dist 6.58492 4.41856 8.89417 8.25205 7.83506 5.90646 numMergedOcc 0
25 mol 93 unq 3 iso 0 dist 6.58492 5.93923 9.95255 8.25205 7.83506 12.949 numMergedOcc 0
26 mol 93 unq 4 iso 0 dist 7.63783 4.39585 8.89417 3.27874 7.83506 5.90646 numMergedOcc 0
27 mol 93 unq 5 iso 0 dist 7.63783 12.2294 9.95255 3.27874 7.83506 12.949 numMergedOcc 0
28 mol 113 unq 0 iso 0 dist 9.17878 3.87164 6.6317 16.4052 7.40338 13.2601 numMergedOcc 0
29 mol 141 unq 0 iso 0 dist 6.41084 11.939 9.83945 10.2696 4.92382 13.8739 numMergedOcc 0
30 mol 141 unq 1 iso 0 dist 6.93424 12.0582 6.75376 14.9967 8.40695 5.59893 numMergedOcc 0
31 mol 141 unq 2 iso 0 dist 6.93424 12.0582 6.75376 14.2035 9.35867 3.89483 numMergedOcc 0
32 mol 141 unq 3 iso 0 dist 6.8891 12.0582 9.10042 14.2035 9.38036 3.89483 numMergedOcc 0
33 mol 141 unq 4 iso 0 dist 6.8891 13.5187 9.75059 14.2035 9.38036 4.1436 numMergedOcc 0
34 mol 141 unq 5 iso 0 dist 6.8891 10.0354 6.83404 14.2035 9.38036 12.6017 numMergedOcc 0
35 mol 194 unq 0 iso 0 dist 7.71806 12.1101 6.1886 4.02402 8.43182 13.0087 numMergedOcc 0
36 mol 196 unq 0 iso 0 dist 9.42877 11.3347 7.21349 9.69543 6.14222 5.7225 numMergedOcc 0
37 mol 244 unq 0 iso 0 dist 9.28249 15.877 7.95359 15.678 9.30179 8.74744 numMergedOcc 0
38 mol 244 unq 1 iso 0 dist 9.28249 15.877 7.95359 14.6968 6.10489 5.98501 numMergedOcc 0
39 mol 244 unq 2 iso 0 dist 9.28249 15.877 7.95359 11.0278 4.4204 5.00596 numMergedOcc 0
40 mol 244 unq 3 iso 0 dist 9.28249 6.12937 6.22122 15.678 9.30179 13.2473 numMergedOcc 0
41 mol 244 unq 4 iso 0 dist 9.28249 6.12937 6.22122 14.6968 6.10489 10.1665 numMergedOcc 0
42 mol 244 unq 5 iso 0 dist 9.28249 6.12937 6.22122 11.0278 4.4204 5.68434 numMergedOcc 0
43 mol 249 unq 0 iso 0 dist 6.7282 7.64577 5.9627 3.89698 8.76518 11.2713 numMergedOcc 0
44 mol 260 unq 0 iso 0 dist 8.75324 6.49889 9.32954 7.27279 6.49413 4.07425 numMergedOcc 0
45 mol 260 unq 1 iso 0 dist 8.75324 6.49889 9.32954 9.87974 6.12343 9.82931 numMergedOcc 0
46 mol 260 unq 2 iso 0 dist 8.75324 6.49889 9.32954 5.97575 4.52405 9.36278 numMergedOcc 0
