0 mol 25 unq 0 iso 0 dist 7.05148 6.17631 8.6653 12.3312 10.8122 7.6114 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 7.05148 5.59268 7.92503 8.27137 11.0175 4.79873 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 7.05148 5.59268 7.92503 13.4236 10.2758 9.48085 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 8.85981 10.8619 7.16773 16.9186 9.76482 9.03564 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 8.2746 4.47138 7.56205 10.8449 4.09232 9.69044 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 8.2746 10.9596 4.74544 10.8449 4.09232 6.9103 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 9.55838 9.96691 6.36086 11.7898 7.15683 6.17207 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 9.49995 5.69671 9.49454 12.0576 15.7954 8.27883 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 9.49995 5.69671 9.49454 10.4457 10.4348 5.75428 numMergedOcc 0
9 mol 95 unq 2 iso 0 dist 9.49995 5.69671 9.49454 9.70292 5.88327 8.57395 numMergedOcc 0
10 mol 95 unq 3 iso 0 dist 9.49995 5.69671 9.49454 9.59704 3.96826 9.85409 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 5.94696 12.4265 6.7117 9.58039 3.94967 5.10496 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 5.94696 7.1452 4.47349 5.08983 3.92737 7.54889 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 5.94696 7.1452 4.47349 9.58039 3.94967 5.2571 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 5.94696 4.96747 5.65185 5.08983 3.92737 7.78931 numMergedOcc 0
15 mol 98 unq 4 iso 0 dist 5.94696 4.96747 5.65185 9.58039 3.94967 8.7497 numMergedOcc 0
16 mol 113 unq 0 iso 0 dist 5.37302 14.0364 9.66219 6.12348 3.84573 8.80934 numMergedOcc 0
17 mol 113 unq 1 iso 0 dist 9.66068 16.3524 8.8822 9.58604 7.1951 8.80934 numMergedOcc 0
18 mol 113 unq 2 iso 0 dist 8.03783 16.3524 9.66219 9.58604 3.84573 8.80934 numMergedOcc 0
19 mol 113 unq 3 iso 0 dist 8.47541 12.1308 9.66219 7.2672 3.84573 8.80934 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 8.6561 5.27217 7.71248 11.9968 8.88402 8.26547 numMergedOcc 0
21 mol 167 unq 0 iso 0 dist 9.14629 7.91498 9.67741 11.1687 5.43662 7.20495 numMergedOcc 0
22 mol 167 unq 1 iso 0 dist 9.14629 7.91498 9.67741 8.77904 8.91275 9.2289 numMergedOcc 0
23 mol 167 unq 2 iso 0 dist 9.14629 7.91498 9.67741 6.48993 5.95858 7.02548 numMergedOcc 0
24 mol 168 unq 0 iso 0 dist 8.90876 12.1014 7.44629 7.30338 4.02702 6.02086 numMergedOcc 0
25 mol 184 unq 0 iso 0 dist 8.95598 4.41193 6.42735 10.1839 3.7949 8.97589 numMergedOcc 0
26 mol 184 unq 1 iso 0 dist 8.95598 4.41193 6.42735 8.27396 4.67256 5.96423 numMergedOcc 0
27 mol 195 unq 0 iso 0 dist 8.80931 5.90604 7.36683 12.7012 8.90504 7.41662 numMergedOcc 0
28 mol 195 unq 1 iso 0 dist 8.80931 8.97729 9.26504 14.8642 8.29668 9.03441 numMergedOcc 0
29 mol 204 unq 0 iso 0 dist 8.62191 18.2283 9.68728 22.2924 14.0756 7.9133 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 5.86419 4.78067 4.8668 10.867 9.86388 6.49765 numMergedOcc 0
31 mol 205 unq 1 iso 0 dist 7.23557 4.2475 4.8668 6.41148 9.86388 6.49765 numMergedOcc 0
32 mol 205 unq 2 iso 0 dist 8.86587 6.8901 4.8668 5.06713 9.86388 6.49765 numMergedOcc 0
33 mol 219 unq 0 iso 0 dist 7.13099 5.0241 7.59632 6.52136 5.75906 4.33238 numMergedOcc 0
34 mol 223 unq 0 iso 0 dist 7.81769 8.78003 7.48463 14.1948 10.5752 6.42257 numMergedOcc 0
35 mol 223 unq 1 iso 0 dist 7.81769 8.78003 7.48463 9.6936 3.86668 9.33543 numMergedOcc 0
36 mol 223 unq 2 iso 0 dist 7.66694 5.33327 7.48463 11.4037 10.5752 6.42257 numMergedOcc 0
37 mol 223 unq 3 iso 0 dist 7.66694 5.33327 7.48463 9.36733 3.86668 9.33543 numMergedOcc 0
38 mol 232 unq 0 iso 0 dist 7.83422 9.60401 9.05071 12.6048 11.2243 6.71524 numMergedOcc 0
39 mol 287 unq 0 iso 0 dist 7.76945 7.19628 9.65934 10.251 5.97664 7.45616 numMergedOcc 0
40 mol 288 unq 0 iso 0 dist 7.76945 7.19628 9.65934 10.251 5.97664 7.45616 numMergedOcc 0
41 mol 289 unq 0 iso 0 dist 7.76945 7.19628 9.65934 10.251 5.97664 7.45616 numMergedOcc 0
42 mol 292 unq 0 iso 0 dist 6.60049 6.94727 9.88863 7.78796 3.92782 9.74118 numMergedOcc 0
