0 mol 53 unq 0 iso 0 dist 9.99188 10.2062 7.09169 10.0665 7.75295 5.09224 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 9.10096 11.5552 6.77886 3.98831 6.99108 10.0962 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 8.98939 8.89982 7.27383 4.35705 6.62229 5.85698 numMergedOcc 0
3 mol 60 unq 0 iso 0 dist 8.54955 12.613 9.96399 6.03836 4.65127 11.2415 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 8.54955 9.35097 7.55695 6.03836 4.65127 5.94827 numMergedOcc 0
5 mol 60 unq 2 iso 0 dist 8.54955 9.8648 8.82176 6.03836 4.65127 5.32257 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 8.64047 13.4816 8.00777 4.32784 8.70863 11.165 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 8.64047 12.1235 7.1589 4.32784 8.70863 9.29301 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 7.01303 4.76162 8.86674 5.6019 7.39179 9.66102 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 7.46327 12.3373 9.81831 10.4036 7.62611 4.4022 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 7.46327 11.6592 9.12858 10.4036 7.62611 8.96224 numMergedOcc 0
11 mol 93 unq 2 iso 0 dist 7.46327 6.09816 9.4523 10.4036 7.62611 10.3849 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 5.48788 6.69791 5.88354 4.17528 6.62972 4.67519 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 5.48788 6.7822 7.89665 4.17528 6.62972 6.6076 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 5.48788 9.86407 5.39354 4.17528 6.62972 10.6513 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 5.48788 10.9221 5.74854 4.17528 6.62972 10.4027 numMergedOcc 0
16 mol 98 unq 4 iso 0 dist 5.48788 9.71558 8.76566 4.17528 6.62972 12.3568 numMergedOcc 0
17 mol 98 unq 5 iso 0 dist 5.48788 11.3525 8.8368 4.17528 6.62972 14.5457 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 9.70095 5.06206 7.12017 6.8344 9.5669 9.75737 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 8.92412 4.37081 6.69515 12.9359 4.46777 10.1386 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 8.92412 4.37081 6.69515 11.5448 6.94988 7.42649 numMergedOcc 0
21 mol 141 unq 2 iso 0 dist 8.92412 6.23566 7.86572 12.9359 4.46777 10.1432 numMergedOcc 0
22 mol 141 unq 3 iso 0 dist 8.92412 6.23566 7.86572 11.5448 6.94988 9.43674 numMergedOcc 0
23 mol 141 unq 4 iso 0 dist 6.97579 10.5394 6.69515 4.37003 4.46777 10.1386 numMergedOcc 0
24 mol 141 unq 5 iso 0 dist 6.97579 10.5394 6.69515 4.34943 6.94988 7.42649 numMergedOcc 0
25 mol 141 unq 6 iso 0 dist 6.97579 12.1215 7.86572 4.37003 4.46777 10.1432 numMergedOcc 0
26 mol 141 unq 7 iso 0 dist 6.97579 12.1215 7.86572 4.34943 6.94988 9.43674 numMergedOcc 0
27 mol 147 unq 0 iso 0 dist 9.60646 8.07266 5.49226 10.23 7.25644 11.1681 numMergedOcc 0
28 mol 147 unq 1 iso 0 dist 9.60646 5.83569 6.28351 10.23 7.25644 5.50251 numMergedOcc 0
29 mol 186 unq 0 iso 0 dist 9.67802 18.5326 9.83476 10.9082 4.5271 10.5063 numMergedOcc 0
30 mol 186 unq 1 iso 0 dist 9.67802 18.5326 9.83476 5.48326 7.02575 14.4429 numMergedOcc 0
31 mol 186 unq 2 iso 0 dist 9.18314 7.37734 9.83476 9.9497 4.5271 10.5063 numMergedOcc 0
32 mol 186 unq 3 iso 0 dist 9.18314 7.37734 9.83476 10.094 7.02575 14.4429 numMergedOcc 0
33 mol 196 unq 0 iso 0 dist 5.89229 4.33607 8.20691 6.03908 8.57986 8.61276 numMergedOcc 0
34 mol 218 unq 0 iso 0 dist 7.84953 6.66456 6.29367 5.95332 8.3087 4.92618 numMergedOcc 0
35 mol 218 unq 1 iso 0 dist 7.84953 5.09263 5.76954 5.95332 8.3087 7.84019 numMergedOcc 0
36 mol 218 unq 2 iso 0 dist 7.84953 10.1782 9.20961 5.95332 8.3087 10.9043 numMergedOcc 0
37 mol 218 unq 3 iso 0 dist 4.57726 6.66456 8.86175 5.95332 9.32945 4.92618 numMergedOcc 0
38 mol 218 unq 4 iso 0 dist 4.57726 5.09263 6.29511 5.95332 9.32945 7.84019 numMergedOcc 0
39 mol 225 unq 0 iso 0 dist 7.10883 6.7444 6.6561 5.32385 8.20162 7.17211 numMergedOcc 0
40 mol 258 unq 0 iso 0 dist 8.82933 6.62225 6.70815 6.60614 9.91199 10.8558 numMergedOcc 0
41 mol 258 unq 1 iso 0 dist 8.82933 12.4255 7.99477 6.60614 9.91199 13.2927 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 9.70241 4.627 6.57903 7.74918 7.85414 6.28695 numMergedOcc 0
43 mol 277 unq 1 iso 0 dist 9.70241 5.01996 9.65707 7.74918 7.85414 4.39413 numMergedOcc 0
44 mol 279 unq 0 iso 0 dist 8.31175 9.86167 8.29305 7.12113 9.30921 9.37316 numMergedOcc 0
45 mol 279 unq 1 iso 0 dist 8.31175 9.59818 6.43341 7.12113 9.30921 5.58929 numMergedOcc 0
46 mol 282 unq 0 iso 0 dist 8.64036 4.59315 5.23193 10.9909 8.53065 7.55098 numMergedOcc 0
47 mol 282 unq 1 iso 0 dist 8.64036 4.59315 5.23193 8.39689 8.67489 6.46616 numMergedOcc 0
