0 mol 9 unq 0 iso 0 dist 7.05346 8.50424 8.076 7.32257 8.88528 7.35972 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 7.05346 8.50424 8.076 11.0167 14.0736 9.93542 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 7.9944 6.02809 6.32226 6.55811 4.58685 7.35972 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 7.9944 6.02809 6.32226 7.36018 5.83039 9.93542 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 7.032 4.98827 6.32226 8.64915 4.58685 7.35972 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 7.032 4.98827 6.32226 8.17347 5.83039 9.93542 numMergedOcc 0
6 mol 9 unq 6 iso 0 dist 9.27637 11.8296 6.59455 17.7658 13.7528 7.35972 numMergedOcc 0
7 mol 19 unq 0 iso 0 dist 7.48847 6.42867 6.39966 15.4288 13.9675 9.95212 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 6.92532 4.97119 6.39966 7.75618 13.9675 9.95212 numMergedOcc 0
9 mol 19 unq 2 iso 0 dist 6.36455 6.01808 6.39966 12.3215 13.9675 9.95212 numMergedOcc 0
10 mol 24 unq 0 iso 0 dist 6.60423 4.32034 9.69752 9.41441 11.9395 8.00171 numMergedOcc 0
11 mol 24 unq 1 iso 0 dist 6.60423 8.52463 9.36461 9.41441 11.9395 6.72323 numMergedOcc 0
12 mol 24 unq 2 iso 0 dist 7.83786 9.6469 9.69752 16.0926 11.9395 8.00171 numMergedOcc 0
13 mol 24 unq 3 iso 0 dist 7.83786 14.6654 9.36461 16.0926 11.9395 6.72323 numMergedOcc 0
14 mol 24 unq 4 iso 0 dist 4.93188 5.11617 4.90592 6.73939 10.0715 6.72323 numMergedOcc 0
15 mol 24 unq 5 iso 0 dist 9.24958 13.2229 4.90592 18.673 10.0715 6.72323 numMergedOcc 0
16 mol 26 unq 0 iso 0 dist 8.44506 10.9837 9.5053 11.9684 5.66783 6.56527 numMergedOcc 0
17 mol 44 unq 0 iso 0 dist 7.52117 4.55437 7.03307 9.6782 5.1728 7.48846 numMergedOcc 0
18 mol 60 unq 0 iso 0 dist 9.96399 11.2415 4.65127 10.5084 4.82351 8.97364 numMergedOcc 0
19 mol 60 unq 1 iso 0 dist 7.55695 5.94827 4.65127 9.90939 4.82351 8.97364 numMergedOcc 0
20 mol 60 unq 2 iso 0 dist 8.82176 5.32257 4.65127 11.6165 4.82351 8.97364 numMergedOcc 0
21 mol 73 unq 0 iso 0 dist 7.04044 5.11416 6.48232 12.1382 7.86177 8.87464 numMergedOcc 0
22 mol 73 unq 1 iso 0 dist 8.73253 6.56633 6.48232 10.2755 7.86177 8.87464 numMergedOcc 0
23 mol 76 unq 0 iso 0 dist 7.27693 6.45686 9.75201 9.38371 7.2505 8.95905 numMergedOcc 0
24 mol 85 unq 0 iso 0 dist 8.00777 11.165 8.70863 15.6553 8.31077 9.66222 numMergedOcc 0
25 mol 85 unq 1 iso 0 dist 7.1589 9.29301 8.70863 14.4725 8.31077 9.66222 numMergedOcc 0
26 mol 92 unq 0 iso 0 dist 8.86674 9.66102 7.39179 16.2594 13.0644 9.60622 numMergedOcc 0
27 mol 92 unq 1 iso 0 dist 8.86674 9.66102 7.39179 13.4631 9.98219 9.91054 numMergedOcc 0
28 mol 98 unq 0 iso 0 dist 7.26086 7.06961 8.43352 11.3043 8.02554 7.36769 numMergedOcc 0
29 mol 98 unq 1 iso 0 dist 7.26086 7.06961 8.43352 6.65501 11.2092 6.88901 numMergedOcc 0
30 mol 98 unq 2 iso 0 dist 5.88354 4.67519 6.62972 5.59328 8.53212 7.14031 numMergedOcc 0
31 mol 98 unq 3 iso 0 dist 7.89665 6.6076 6.62972 10.0186 8.53212 7.14031 numMergedOcc 0
32 mol 98 unq 4 iso 0 dist 5.39354 10.6513 6.62972 10.3766 8.53212 7.14031 numMergedOcc 0
33 mol 98 unq 5 iso 0 dist 5.74854 10.4027 6.62972 7.5242 8.53212 7.14031 numMergedOcc 0
34 mol 98 unq 6 iso 0 dist 8.76566 12.3568 6.62972 15.4911 8.53212 7.14031 numMergedOcc 0
35 mol 98 unq 7 iso 0 dist 8.8368 14.5457 6.62972 17.0991 8.53212 7.14031 numMergedOcc 0
36 mol 112 unq 0 iso 0 dist 8.729 5.39346 9.77017 10.7886 7.22444 7.80873 numMergedOcc 0
37 mol 114 unq 0 iso 0 dist 6.34525 12.7083 9.35942 14.1487 10.5177 8.42878 numMergedOcc 0
38 mol 114 unq 1 iso 0 dist 9.7918 7.12268 7.42482 14.7674 8.66057 8.42878 numMergedOcc 0
39 mol 119 unq 0 iso 0 dist 7.99623 7.45148 9.9151 8.99399 4.99495 7.20249 numMergedOcc 0
40 mol 129 unq 0 iso 0 dist 8.03372 4.55551 9.94578 9.36851 6.84211 9.73158 numMergedOcc 0
41 mol 129 unq 1 iso 0 dist 8.03372 4.55551 9.94578 4.97175 4.53459 7.59327 numMergedOcc 0
42 mol 131 unq 0 iso 0 dist 9.15431 6.51918 5.44303 10.8571 5.66194 5.87084 numMergedOcc 0
43 mol 131 unq 1 iso 0 dist 8.86329 10.3369 8.92828 15.5509 11.6708 5.87084 numMergedOcc 0
44 mol 131 unq 2 iso 0 dist 8.71039 7.92788 8.92828 11.8964 11.6708 5.87084 numMergedOcc 0
45 mol 131 unq 3 iso 0 dist 6.92648 7.92788 5.44303 11.8964 5.66194 5.87084 numMergedOcc 0
46 mol 131 unq 4 iso 0 dist 9.29384 13.1439 5.44303 14.9021 5.66194 5.87084 numMergedOcc 0
47 mol 134 unq 0 iso 0 dist 7.36779 7.1797 9.30061 10.8985 14.2253 6.40575 numMergedOcc 0
48 mol 134 unq 1 iso 0 dist 8.20836 4.57832 9.30061 10.5252 14.2253 6.40575 numMergedOcc 0
49 mol 141 unq 0 iso 0 dist 6.69515 10.1386 4.46777 11.0743 5.38571 6.83404 numMergedOcc 0
50 mol 141 unq 1 iso 0 dist 7.86572 10.1432 4.46777 9.97343 5.38571 6.83404 numMergedOcc 0
51 mol 156 unq 0 iso 0 dist 5.38091 5.81563 7.46845 7.30357 12.4049 8.21184 numMergedOcc 0
52 mol 156 unq 1 iso 0 dist 5.38091 5.81563 7.46845 8.61587 11.7015 5.9976 numMergedOcc 0
53 mol 181 unq 0 iso 0 dist 6.51749 5.6044 7.11785 11.602 8.30281 7.22883 numMergedOcc 0
54 mol 181 unq 1 iso 0 dist 7.20392 12.9468 7.11785 14.8662 8.30281 7.22883 numMergedOcc 0
55 mol 194 unq 0 iso 0 dist 6.26839 11.6598 5.68348 12.4952 7.50057 6.38324 numMergedOcc 0
56 mol 194 unq 1 iso 0 dist 6.26839 11.6598 5.68348 8.65535 5.92931 6.1886 numMergedOcc 0
57 mol 194 unq 2 iso 0 dist 8.12346 12.0887 5.68348 15.1649 7.50057 6.38324 numMergedOcc 0
58 mol 194 unq 3 iso 0 dist 8.12346 12.0887 5.68348 12.0009 5.92931 6.1886 numMergedOcc 0
59 mol 194 unq 4 iso 0 dist 8.83356 7.11753 5.68348 6.72379 7.50057 6.38324 numMergedOcc 0
60 mol 194 unq 5 iso 0 dist 8.83356 7.11753 5.68348 12.645 5.92931 6.1886 numMergedOcc 0
61 mol 194 unq 6 iso 0 dist 8.2654 12.8755 5.68348 13.2138 7.50057 6.38324 numMergedOcc 0
62 mol 194 unq 7 iso 0 dist 8.2654 12.8755 5.68348 13.9101 5.92931 6.1886 numMergedOcc 0
63 mol 225 unq 0 iso 0 dist 8.87609 5.76292 9.23935 10.8091 8.98957 8.37739 numMergedOcc 0
64 mol 225 unq 1 iso 0 dist 8.87609 8.21235 7.77552 10.8091 8.98957 9.47237 numMergedOcc 0
65 mol 232 unq 0 iso 0 dist 7.83711 4.9377 6.57921 13.7227 7.86594 9.78181 numMergedOcc 0
66 mol 232 unq 1 iso 0 dist 7.83711 4.9377 6.57921 9.05071 13.8622 9.8664 numMergedOcc 0
67 mol 274 unq 0 iso 0 dist 9.56685 5.29529 8.2997 9.85289 5.36428 6.88827 numMergedOcc 0
68 mol 274 unq 1 iso 0 dist 9.56685 5.29529 8.2997 14.1515 14.986 9.16942 numMergedOcc 0
69 mol 277 unq 0 iso 0 dist 6.57903 6.28695 7.85414 10.5329 5.43373 8.20644 numMergedOcc 0
70 mol 277 unq 1 iso 0 dist 9.65707 4.39413 7.85414 11.3516 5.43373 8.20644 numMergedOcc 0
