0 mol 19 unq 0 iso 0 dist 9.47909 8.15772 7.14945 6.57145 6.50337 6.26585 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 9.47909 6.57145 6.50337 8.15772 7.14945 6.26585 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 7.84552 14.959 8.80127 9.85198 6.48457 14.6259 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 7.84552 9.85198 6.48457 14.959 8.80127 14.6259 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 9.36759 14.6904 9.07906 12.0121 8.75567 10.6953 numMergedOcc 0
5 mol 43 unq 0 iso 1 dist 9.36759 12.0121 8.75567 14.6904 9.07906 10.6953 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 5.0553 11.8429 9.07906 5.8542 8.75567 10.6953 numMergedOcc 0
7 mol 43 unq 1 iso 1 dist 5.0553 5.8542 8.75567 11.8429 9.07906 10.6953 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 7.43445 6.24736 8.20715 5.81718 6.16081 9.22558 numMergedOcc 0
9 mol 119 unq 0 iso 1 dist 7.43445 5.81718 6.16081 6.24736 8.20715 9.22558 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 7.82186 5.74096 8.5457 8.58414 6.7928 5.20645 numMergedOcc 0
11 mol 120 unq 0 iso 1 dist 7.82186 8.58414 6.7928 5.74096 8.5457 5.20645 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 7.82186 5.74096 8.5457 12.5923 7.59189 10.3759 numMergedOcc 0
13 mol 120 unq 1 iso 1 dist 7.82186 12.5923 7.59189 5.74096 8.5457 10.3759 numMergedOcc 0
14 mol 120 unq 1 iso 0 dist 7.82186 8.58414 6.7928 12.5923 7.59189 5.23943 numMergedOcc 0
15 mol 120 unq 1 iso 1 dist 7.82186 12.5923 7.59189 8.58414 6.7928 5.23943 numMergedOcc 0
16 mol 120 unq 2 iso 0 dist 5.85006 11.8343 8.5457 8.40633 6.7928 5.20645 numMergedOcc 0
17 mol 120 unq 2 iso 1 dist 5.85006 8.40633 6.7928 11.8343 8.5457 5.20645 numMergedOcc 0
18 mol 120 unq 3 iso 0 dist 5.85006 11.8343 8.5457 6.60352 7.59189 10.3759 numMergedOcc 0
19 mol 120 unq 3 iso 1 dist 5.85006 6.60352 7.59189 11.8343 8.5457 10.3759 numMergedOcc 0
20 mol 120 unq 3 iso 0 dist 5.85006 8.40633 6.7928 6.60352 7.59189 5.23943 numMergedOcc 0
21 mol 120 unq 3 iso 1 dist 5.85006 6.60352 7.59189 8.40633 6.7928 5.23943 numMergedOcc 0
22 mol 127 unq 0 iso 0 dist 7.34368 10.345 8.82676 12.9049 8.17522 6.16471 numMergedOcc 0
23 mol 127 unq 0 iso 1 dist 7.34368 12.9049 8.17522 10.345 8.82676 6.16471 numMergedOcc 0
24 mol 127 unq 1 iso 0 dist 7.34368 10.345 8.82676 12.7518 8.14341 11.2106 numMergedOcc 0
25 mol 127 unq 1 iso 1 dist 7.34368 12.7518 8.14341 10.345 8.82676 11.2106 numMergedOcc 0
26 mol 127 unq 2 iso 0 dist 7.34368 10.345 8.82676 4.87509 6.54744 12.2864 numMergedOcc 0
27 mol 127 unq 2 iso 1 dist 7.34368 4.87509 6.54744 10.345 8.82676 12.2864 numMergedOcc 0
28 mol 127 unq 1 iso 0 dist 7.34368 12.9049 8.17522 12.7518 8.14341 6.55997 numMergedOcc 0
29 mol 127 unq 1 iso 1 dist 7.34368 12.7518 8.14341 12.9049 8.17522 6.55997 numMergedOcc 0
30 mol 127 unq 2 iso 0 dist 7.34368 12.9049 8.17522 4.87509 6.54744 12.4623 numMergedOcc 0
31 mol 127 unq 2 iso 1 dist 7.34368 4.87509 6.54744 12.9049 8.17522 12.4623 numMergedOcc 0
32 mol 127 unq 2 iso 0 dist 7.34368 12.7518 8.14341 4.87509 6.54744 9.8922 numMergedOcc 0
33 mol 127 unq 2 iso 1 dist 7.34368 4.87509 6.54744 12.7518 8.14341 9.8922 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 9.87656 14.7987 8.86966 10.8051 5.7527 5.49936 numMergedOcc 0
35 mol 152 unq 0 iso 1 dist 9.87656 10.8051 5.7527 14.7987 8.86966 5.49936 numMergedOcc 0
36 mol 152 unq 1 iso 0 dist 5.35463 11.7248 8.86966 6.4987 5.7527 5.49936 numMergedOcc 0
37 mol 152 unq 1 iso 1 dist 5.35463 6.4987 5.7527 11.7248 8.86966 5.49936 numMergedOcc 0
38 mol 167 unq 0 iso 0 dist 7.78684 8.89995 6.85239 6.43506 5.72735 4.70068 numMergedOcc 0
39 mol 167 unq 0 iso 1 dist 7.78684 6.43506 5.72735 8.89995 6.85239 4.70068 numMergedOcc 0
40 mol 186 unq 0 iso 0 dist 5.84716 7.82249 9.37545 9.09826 6.02579 6.83796 numMergedOcc 0
41 mol 186 unq 0 iso 1 dist 5.84716 9.09826 6.02579 7.82249 9.37545 6.83796 numMergedOcc 0
42 mol 186 unq 1 iso 0 dist 5.88987 5.47219 9.37545 6.51869 6.02579 6.83796 numMergedOcc 0
43 mol 186 unq 1 iso 1 dist 5.88987 6.51869 6.02579 5.47219 9.37545 6.83796 numMergedOcc 0
44 mol 206 unq 0 iso 0 dist 5.99766 8.21044 9.62822 8.05113 7.03546 7.08941 numMergedOcc 0
45 mol 206 unq 0 iso 1 dist 5.99766 8.05113 7.03546 8.21044 9.62822 7.08941 numMergedOcc 0
46 mol 258 unq 0 iso 0 dist 8.46598 8.91606 8.13183 12.2458 6.78929 5.55477 numMergedOcc 0
47 mol 258 unq 0 iso 1 dist 8.46598 12.2458 6.78929 8.91606 8.13183 5.55477 numMergedOcc 0
48 mol 258 unq 1 iso 0 dist 7.17822 7.99403 8.13183 6.51074 6.78929 5.55477 numMergedOcc 0
49 mol 258 unq 1 iso 1 dist 7.17822 6.51074 6.78929 7.99403 8.13183 5.55477 numMergedOcc 0
