0 mol 2 unq 0 iso 0 dist 6.52386 15.1719 9.53758 12.506 6.35342 5.7104 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.57437 13.63 8.85869 17.7278 9.85726 14.1047 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.18109 5.02379 6.17472 5.66535 6.87871 5.3372 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 9.60995 10.0087 8.23618 4.61096 6.80741 10.1759 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.82315 5.78708 6.85094 7.49081 5.92705 7.15161 numMergedOcc 0
5 mol 61 unq 1 iso 0 dist 9.67403 16.6923 9.94756 4.90701 9.62468 18.7183 numMergedOcc 0
6 mol 61 unq 2 iso 0 dist 7.28917 4.16192 9.94756 16.7918 9.62468 18.7183 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 5.58346 12.2435 7.84699 4.69583 6.89722 13.4367 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 5.58346 10.362 7.53504 4.69583 6.89722 9.64124 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 9.10386 12.2435 8.40844 15.7901 9.68526 5.33851 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 9.10386 12.2435 8.40844 4.69583 7.26679 13.4367 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 9.10386 12.2435 8.40844 15.8603 9.30776 15.7164 numMergedOcc 0
12 mol 73 unq 5 iso 0 dist 9.10386 14.2654 7.02351 15.7901 9.68526 13.6586 numMergedOcc 0
13 mol 73 unq 6 iso 0 dist 9.10386 14.2654 7.02351 4.69583 7.26679 10.3774 numMergedOcc 0
14 mol 73 unq 7 iso 0 dist 9.10386 14.2654 7.02351 15.8603 9.30776 4.15333 numMergedOcc 0
15 mol 73 unq 8 iso 0 dist 9.10386 10.362 8.66342 15.7901 9.68526 16.8585 numMergedOcc 0
16 mol 73 unq 9 iso 0 dist 9.10386 10.362 8.66342 4.69583 7.26679 9.64124 numMergedOcc 0
17 mol 73 unq 10 iso 0 dist 9.10386 10.362 8.66342 15.8603 9.30776 16.0481 numMergedOcc 0
18 mol 73 unq 11 iso 0 dist 9.78545 14.5223 6.95094 14.2026 9.58544 4.91508 numMergedOcc 0
19 mol 73 unq 12 iso 0 dist 9.97998 11.7502 6.95094 9.27925 9.58544 4.91508 numMergedOcc 0
20 mol 73 unq 13 iso 0 dist 9.66744 16.9811 7.84699 8.59095 6.89722 13.4367 numMergedOcc 0
21 mol 73 unq 14 iso 0 dist 9.66744 4.5646 7.53504 8.59095 6.89722 9.64124 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 9.93688 13.3114 4.85152 4.71849 9.514 11.1785 numMergedOcc 0
23 mol 92 unq 1 iso 0 dist 9.93688 13.3114 4.85152 4.32564 7.84888 10.9352 numMergedOcc 0
24 mol 92 unq 2 iso 0 dist 9.88184 13.3931 4.85152 9.24395 9.514 11.1785 numMergedOcc 0
25 mol 92 unq 3 iso 0 dist 9.88184 13.3931 4.85152 4.33359 7.84888 10.9352 numMergedOcc 0
26 mol 101 unq 0 iso 0 dist 5.5199 5.2394 5.51185 4.50603 8.77773 9.11989 numMergedOcc 0
27 mol 102 unq 0 iso 0 dist 8.07962 7.92108 9.61113 8.58092 9.01767 13.9809 numMergedOcc 0
28 mol 102 unq 1 iso 0 dist 8.07962 4.9259 7.73836 8.58092 9.01767 5.09542 numMergedOcc 0
29 mol 102 unq 2 iso 0 dist 9.54857 7.92108 7.59973 7.54459 9.43411 10.3418 numMergedOcc 0
30 mol 102 unq 3 iso 0 dist 9.54857 7.92108 7.59973 8.58092 9.80678 13.9809 numMergedOcc 0
31 mol 102 unq 4 iso 0 dist 7.58908 4.51114 9.61113 12.5781 9.01767 13.9809 numMergedOcc 0
32 mol 102 unq 5 iso 0 dist 7.58908 9.29865 7.73836 12.5781 9.01767 5.09542 numMergedOcc 0
33 mol 102 unq 6 iso 0 dist 9.32058 4.51114 7.59973 11.0171 9.43411 10.3418 numMergedOcc 0
34 mol 102 unq 7 iso 0 dist 9.32058 4.51114 7.59973 12.5781 9.80678 13.9809 numMergedOcc 0
35 mol 117 unq 0 iso 0 dist 6.81489 5.76817 5.24519 10.0087 7.70533 5.34484 numMergedOcc 0
36 mol 117 unq 1 iso 0 dist 9.33403 8.6257 8.30003 13.5681 9.85576 5.21051 numMergedOcc 0
37 mol 181 unq 0 iso 0 dist 4.96259 6.6215 5.77393 4.11061 6.00053 5.32859 numMergedOcc 0
38 mol 183 unq 0 iso 0 dist 9.92635 15.7519 9.81282 10.0008 7.31181 6.00494 numMergedOcc 0
39 mol 183 unq 1 iso 0 dist 7.85507 15.2905 9.81282 9.95614 7.31181 6.00494 numMergedOcc 0
40 mol 185 unq 0 iso 0 dist 5.40655 8.51 6.11382 5.77911 8.04591 10.9948 numMergedOcc 0
41 mol 205 unq 0 iso 0 dist 9.32657 14.0402 8.21112 10.7813 7.07183 7.42296 numMergedOcc 0
42 mol 205 unq 1 iso 0 dist 9.32657 11.0093 7.06533 10.7813 7.07183 8.60418 numMergedOcc 0
43 mol 205 unq 2 iso 0 dist 9.32657 7.30488 5.94835 10.7813 7.07183 5.30941 numMergedOcc 0
44 mol 211 unq 0 iso 0 dist 7.38723 9.3095 9.45365 3.99353 8.63308 8.91121 numMergedOcc 0
45 mol 211 unq 1 iso 0 dist 7.38723 5.45968 7.15386 3.99353 8.63308 7.03173 numMergedOcc 0
46 mol 211 unq 2 iso 0 dist 7.38723 9.04294 7.73993 3.99353 8.63308 11.6621 numMergedOcc 0
47 mol 213 unq 0 iso 0 dist 5.01229 4.41052 8.84278 4.67262 4.58599 8.28789 numMergedOcc 0
48 mol 226 unq 0 iso 0 dist 8.10096 12.8829 9.05082 5.47434 9.5723 10.78 numMergedOcc 0
49 mol 230 unq 0 iso 0 dist 6.61442 6.22182 5.00735 10.3251 8.43766 6.33989 numMergedOcc 0
50 mol 230 unq 1 iso 0 dist 6.61442 12.0815 9.27643 10.3251 8.43766 6.63414 numMergedOcc 0
51 mol 230 unq 2 iso 0 dist 7.10283 5.18766 5.00735 6.51645 8.43766 6.33989 numMergedOcc 0
52 mol 230 unq 3 iso 0 dist 7.10283 9.15352 9.27643 6.51645 8.43766 6.63414 numMergedOcc 0
53 mol 232 unq 0 iso 0 dist 6.11539 5.99119 7.33708 5.70808 8.68464 11.4953 numMergedOcc 0
54 mol 232 unq 1 iso 0 dist 6.11539 5.10642 4.46314 5.70808 8.68464 5.20266 numMergedOcc 0
55 mol 232 unq 2 iso 0 dist 9.71082 14.9027 7.33708 4.86949 8.68464 11.4953 numMergedOcc 0
56 mol 232 unq 3 iso 0 dist 9.71082 6.19573 4.46314 4.86949 8.68464 5.20266 numMergedOcc 0
57 mol 257 unq 0 iso 0 dist 8.43067 9.14736 5.65496 4.37426 4.97263 6.75122 numMergedOcc 0
58 mol 257 unq 1 iso 0 dist 8.43067 9.14736 5.65496 5.8531 5.36776 5.99362 numMergedOcc 0
59 mol 257 unq 2 iso 0 dist 7.6127 4.77705 5.65496 5.03065 4.97263 6.75122 numMergedOcc 0
60 mol 257 unq 3 iso 0 dist 7.6127 4.77705 5.65496 5.98419 5.36776 5.99362 numMergedOcc 0
61 mol 259 unq 0 iso 0 dist 5.98006 7.8775 9.16791 6.64729 6.77279 12.4673 numMergedOcc 0
62 mol 259 unq 1 iso 0 dist 5.98006 7.8775 9.16791 9.79538 9.58006 16.6792 numMergedOcc 0
63 mol 259 unq 2 iso 0 dist 9.30018 4.54952 5.96276 7.20428 5.90381 5.55516 numMergedOcc 0
64 mol 265 unq 0 iso 0 dist 6.98812 7.40176 8.19772 5.58514 9.59213 4.36105 numMergedOcc 0
65 mol 274 unq 0 iso 0 dist 7.62562 7.60168 7.59956 6.96875 7.79904 4.89399 numMergedOcc 0
66 mol 274 unq 1 iso 0 dist 7.62562 7.60168 7.59956 15.8929 9.02749 11.3084 numMergedOcc 0
67 mol 274 unq 2 iso 0 dist 7.62562 4.77555 8.05503 6.96875 7.79904 10.9974 numMergedOcc 0
68 mol 274 unq 3 iso 0 dist 7.62562 4.77555 8.05503 15.8929 9.02749 16.897 numMergedOcc 0
69 mol 274 unq 4 iso 0 dist 7.62562 6.30262 5.59151 6.96875 7.79904 7.60191 numMergedOcc 0
70 mol 274 unq 5 iso 0 dist 7.62562 6.30262 5.59151 15.8929 9.02749 13.8866 numMergedOcc 0
71 mol 274 unq 6 iso 0 dist 8.26851 8.77987 7.24089 4.56913 6.00877 5.56999 numMergedOcc 0
72 mol 274 unq 7 iso 0 dist 8.26851 10.518 9.29005 4.56913 6.00877 10.2696 numMergedOcc 0
73 mol 274 unq 8 iso 0 dist 8.14634 10.518 8.16746 4.56913 8.66451 10.2696 numMergedOcc 0
