0 mol 7 unq 0 iso 0 dist 6.22805 5.99355 5.72491 12.2255 9.67164 8.0744 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.35095 6.80952 4.93188 5.06352 6.6219 8.32592 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.35095 6.80952 4.93188 7.63533 5.68215 8.10397 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 5.87895 9.6739 9.24958 6.87351 8.87744 7.55689 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 5.87895 9.6739 9.24958 7.79018 7.27472 5.11135 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 8.23292 5.33732 6.6492 11.7739 7.52933 7.41888 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 8.23292 5.33732 6.6492 13.0315 6.55597 8.89681 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 8.23292 5.33732 6.6492 9.6847 9.71956 6.97709 numMergedOcc 0
8 mol 25 unq 3 iso 0 dist 8.23292 5.33732 6.6492 9.50063 7.07751 5.5511 numMergedOcc 0
9 mol 25 unq 4 iso 0 dist 8.23292 5.33732 6.6492 9.6251 8.23761 4.38027 numMergedOcc 0
10 mol 25 unq 5 iso 0 dist 8.23292 5.33732 6.6492 10.985 9.49421 11.7199 numMergedOcc 0
11 mol 38 unq 0 iso 0 dist 7.57586 7.40179 7.57959 5.45205 9.19165 5.29787 numMergedOcc 0
12 mol 38 unq 1 iso 0 dist 7.57586 8.4072 7.05737 5.45205 9.19165 5.26748 numMergedOcc 0
13 mol 56 unq 0 iso 0 dist 8.54845 14.6671 8.63486 5.37928 9.2898 15.8558 numMergedOcc 0
14 mol 59 unq 0 iso 0 dist 6.46655 9.70283 8.64015 9.85425 6.56212 4.88345 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 6.30194 14.8714 8.73253 10.7557 8.68662 10.9746 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 6.30194 14.8714 8.73253 11.1632 7.4369 7.8972 numMergedOcc 0
17 mol 73 unq 2 iso 0 dist 5.79954 5.67493 7.04044 11.5216 9.73086 7.8972 numMergedOcc 0
18 mol 73 unq 3 iso 0 dist 7.01889 11.2215 7.04044 16.3376 9.73086 7.8972 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 7.4371 5.02505 8.67766 5.28562 9.77497 9.03468 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 8.35164 5.51584 6.78038 6.13615 9.02706 8.90959 numMergedOcc 0
21 mol 112 unq 1 iso 0 dist 8.35164 5.51584 6.78038 4.49971 9.39168 4.4941 numMergedOcc 0
22 mol 112 unq 2 iso 0 dist 9.43616 5.51584 6.47042 6.13615 8.47988 8.90959 numMergedOcc 0
23 mol 112 unq 3 iso 0 dist 9.43616 5.51584 6.47042 4.49971 8.0427 4.4941 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 7.5984 11.1239 8.41611 14.6282 7.36975 9.05786 numMergedOcc 0
25 mol 143 unq 1 iso 0 dist 7.5984 11.1239 8.41611 7.11802 5.40637 6.16103 numMergedOcc 0
26 mol 143 unq 2 iso 0 dist 7.5984 14.3979 7.63338 14.6282 7.36975 3.75378 numMergedOcc 0
27 mol 143 unq 3 iso 0 dist 7.5984 14.3979 7.63338 7.11802 5.40637 8.4697 numMergedOcc 0
28 mol 143 unq 4 iso 0 dist 7.5984 9.05442 9.03707 14.6282 7.36975 14.0356 numMergedOcc 0
29 mol 143 unq 5 iso 0 dist 7.5984 9.05442 9.03707 7.11802 5.40637 5.41614 numMergedOcc 0
30 mol 143 unq 6 iso 0 dist 7.5984 12.1804 7.25673 14.6282 7.36975 9.30534 numMergedOcc 0
31 mol 143 unq 7 iso 0 dist 7.5984 12.1804 7.25673 7.11802 5.40637 6.78032 numMergedOcc 0
32 mol 154 unq 0 iso 0 dist 9.04554 13.8936 7.72144 5.93188 8.33439 14.4682 numMergedOcc 0
33 mol 186 unq 0 iso 0 dist 7.45401 8.19136 7.20574 5.85073 6.61112 8.58039 numMergedOcc 0
34 mol 204 unq 0 iso 0 dist 7.7292 12.0796 6.85441 5.99091 7.9133 9.54203 numMergedOcc 0
35 mol 214 unq 0 iso 0 dist 9.40003 12.2978 6.38157 7.66602 7.46481 5.73082 numMergedOcc 0
36 mol 214 unq 1 iso 0 dist 8.68385 11.7781 6.38157 15.5553 7.46481 5.73082 numMergedOcc 0
37 mol 222 unq 0 iso 0 dist 7.27481 10.5003 8.48341 12.9462 6.74196 9.0716 numMergedOcc 0
38 mol 222 unq 1 iso 0 dist 7.27481 10.5003 8.48341 9.50604 8.36842 10.5383 numMergedOcc 0
39 mol 222 unq 2 iso 0 dist 7.27481 10.5003 8.48341 9.68195 9.75472 8.90753 numMergedOcc 0
40 mol 223 unq 0 iso 0 dist 9.94212 6.33419 6.13306 8.1388 6.42257 4.40141 numMergedOcc 0
41 mol 223 unq 1 iso 0 dist 9.94212 6.33419 6.13306 14.288 9.33543 9.63911 numMergedOcc 0
42 mol 229 unq 0 iso 0 dist 8.0007 7.57247 5.77318 6.80826 6.95201 6.93188 numMergedOcc 0
43 mol 232 unq 0 iso 0 dist 7.47238 6.4535 7.83711 6.2559 6.71524 8.03712 numMergedOcc 0
44 mol 236 unq 0 iso 0 dist 6.36941 7.05684 8.50331 5.3331 9.3206 5.59363 numMergedOcc 0
45 mol 248 unq 0 iso 0 dist 6.44967 4.01898 6.17052 9.33595 9.05018 7.14182 numMergedOcc 0
46 mol 264 unq 0 iso 0 dist 6.80096 5.04055 6.42588 8.11813 9.58916 7.36132 numMergedOcc 0
47 mol 285 unq 0 iso 0 dist 7.66291 11.8763 5.31728 10.9224 7.80862 8.05127 numMergedOcc 0
