0 mol 19 unq 0 iso 0 dist 7.48847 6.42867 6.39966 15.4288 13.9675 9.95212 15.851 14.6955 9.79414 8.54034 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 6.92532 4.97119 6.39966 7.75618 13.9675 9.95212 8.7083 14.6955 9.79414 8.54034 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 6.36455 6.01808 6.39966 12.3215 13.9675 9.95212 9.741 14.6955 9.79414 8.54034 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.60423 4.32034 9.69752 9.41441 11.9395 8.00171 9.88364 13.9632 5.70626 9.85784 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.60423 4.32034 9.69752 9.41441 11.9395 8.00171 9.78753 15.2234 5.62738 9.87996 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 6.60423 8.52463 9.36461 9.41441 11.9395 6.72323 9.88364 13.9632 14.6305 9.85784 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 6.60423 8.52463 9.36461 9.41441 11.9395 6.72323 9.78753 15.2234 14.3224 9.87996 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 7.83786 9.6469 9.69752 16.0926 11.9395 8.00171 13.6493 13.9632 5.70626 9.85784 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 7.83786 9.6469 9.69752 16.0926 11.9395 8.00171 14.3037 15.2234 5.62738 9.87996 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 7.83786 14.6654 9.36461 16.0926 11.9395 6.72323 13.6493 13.9632 14.6305 9.85784 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 7.83786 14.6654 9.36461 16.0926 11.9395 6.72323 14.3037 15.2234 14.3224 9.87996 numMergedOcc 0
11 mol 24 unq 8 iso 0 dist 4.93188 5.11617 4.90592 6.73939 10.0715 6.72323 15.4313 18.97 14.6305 9.85784 numMergedOcc 0
12 mol 24 unq 9 iso 0 dist 4.93188 5.11617 4.90592 6.73939 10.0715 6.72323 14.1829 18.1962 14.3224 9.87996 numMergedOcc 0
13 mol 24 unq 10 iso 0 dist 9.24958 13.2229 4.90592 18.673 10.0715 6.72323 26.5457 18.97 14.6305 9.85784 numMergedOcc 0
14 mol 24 unq 11 iso 0 dist 9.24958 13.2229 4.90592 18.673 10.0715 6.72323 24.962 18.1962 14.3224 9.87996 numMergedOcc 0
15 mol 26 unq 0 iso 0 dist 8.44506 10.9837 9.5053 11.9684 5.66783 6.56527 7.11305 6.38243 4.76998 6.81793 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 8.86674 9.66102 7.39179 16.2594 13.0644 9.60622 13.2642 15.3216 11.9597 8.98912 numMergedOcc 0
17 mol 92 unq 1 iso 0 dist 8.86674 9.66102 7.39179 13.4631 9.98219 9.91054 13.2642 15.3216 11.9597 8.93769 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 7.26086 7.06961 8.43352 11.3043 8.02554 7.36769 10.4782 12.2279 3.92737 9.25444 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 7.26086 7.06961 8.43352 11.3043 8.02554 7.36769 3.9764 8.75597 3.94967 9.84703 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 7.26086 7.06961 8.43352 6.65501 11.2092 6.88901 10.4782 12.2279 3.92737 8.46823 numMergedOcc 0
21 mol 98 unq 3 iso 0 dist 7.26086 7.06961 8.43352 6.65501 11.2092 6.88901 3.9764 8.75597 3.94967 4.62494 numMergedOcc 0
22 mol 112 unq 0 iso 0 dist 8.729 5.39346 9.77017 10.7886 7.22444 7.80873 15.722 15.703 10.4943 9.26353 numMergedOcc 0
23 mol 129 unq 0 iso 0 dist 8.03372 4.55551 9.94578 4.97175 4.53459 7.59327 6.16616 13.4823 8.3321 9.35533 numMergedOcc 0
24 mol 131 unq 0 iso 0 dist 9.15431 6.51918 5.44303 10.8571 5.66194 5.87084 4.57579 6.78801 6.11089 7.75314 numMergedOcc 0
25 mol 131 unq 1 iso 0 dist 8.86329 10.3369 8.92828 15.5509 11.6708 5.87084 12.6525 13.7499 6.11089 7.75314 numMergedOcc 0
26 mol 131 unq 2 iso 0 dist 8.71039 7.92788 8.92828 11.8964 11.6708 5.87084 8.57203 13.7499 6.11089 7.75314 numMergedOcc 0
27 mol 131 unq 3 iso 0 dist 6.92648 7.92788 5.44303 11.8964 5.66194 5.87084 8.57203 6.78801 6.11089 7.75314 numMergedOcc 0
28 mol 131 unq 4 iso 0 dist 9.29384 13.1439 5.44303 14.9021 5.66194 5.87084 12.6005 6.78801 6.11089 7.75314 numMergedOcc 0
29 mol 141 unq 0 iso 0 dist 6.69515 10.1386 4.46777 11.0743 5.38571 6.83404 13.2918 6.77921 3.98068 6.65731 numMergedOcc 0
30 mol 141 unq 1 iso 0 dist 7.86572 10.1432 4.46777 9.97343 5.38571 6.83404 13.4066 6.77921 3.98068 6.65731 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 6.51749 5.6044 7.11785 11.602 8.30281 7.22883 18.6323 15.5793 14.2282 8.12266 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 6.51749 5.6044 7.11785 11.602 8.30281 7.22883 15.5349 15.9432 10.273 9.43306 numMergedOcc 0
33 mol 181 unq 2 iso 0 dist 6.51749 5.6044 7.11785 11.602 8.30281 7.22883 9.83826 11.8699 5.14966 8.59681 numMergedOcc 0
34 mol 181 unq 3 iso 0 dist 7.20392 12.9468 7.11785 14.8662 8.30281 7.22883 22.2993 15.5793 14.2282 8.12266 numMergedOcc 0
35 mol 181 unq 4 iso 0 dist 7.20392 12.9468 7.11785 14.8662 8.30281 7.22883 22.5438 15.9432 10.273 9.43306 numMergedOcc 0
36 mol 181 unq 5 iso 0 dist 7.20392 12.9468 7.11785 14.8662 8.30281 7.22883 18.0866 11.8699 5.14966 8.59681 numMergedOcc 0
37 mol 194 unq 0 iso 0 dist 6.26839 11.6598 5.68348 12.4952 7.50057 6.38324 11.8031 6.72182 7.41775 9.00322 numMergedOcc 0
38 mol 194 unq 1 iso 0 dist 6.26839 11.6598 5.68348 8.65535 5.92931 6.1886 10.0756 5.53324 4.002 4.19371 numMergedOcc 0
39 mol 194 unq 2 iso 0 dist 6.26839 11.6598 5.68348 8.65535 5.92931 6.1886 16.4082 11.4466 7.09553 9.71015 numMergedOcc 0
40 mol 194 unq 3 iso 0 dist 8.12346 12.0887 5.68348 15.1649 7.50057 6.38324 9.09233 6.72182 7.41775 9.00322 numMergedOcc 0
41 mol 194 unq 4 iso 0 dist 8.12346 12.0887 5.68348 12.0009 5.92931 6.1886 10.2793 5.53324 4.002 4.19371 numMergedOcc 0
42 mol 194 unq 5 iso 0 dist 8.12346 12.0887 5.68348 12.0009 5.92931 6.1886 14.7478 11.4466 7.09553 9.71015 numMergedOcc 0
43 mol 194 unq 6 iso 0 dist 8.83356 7.11753 5.68348 6.72379 7.50057 6.38324 4.66791 6.72182 7.41775 9.00322 numMergedOcc 0
44 mol 194 unq 7 iso 0 dist 8.83356 7.11753 5.68348 12.645 5.92931 6.1886 10.463 5.53324 4.002 4.19371 numMergedOcc 0
45 mol 194 unq 8 iso 0 dist 8.83356 7.11753 5.68348 12.645 5.92931 6.1886 12.2545 11.4466 7.09553 9.71015 numMergedOcc 0
46 mol 194 unq 9 iso 0 dist 8.2654 12.8755 5.68348 13.2138 7.50057 6.38324 7.73551 6.72182 7.41775 9.00322 numMergedOcc 0
47 mol 194 unq 10 iso 0 dist 8.2654 12.8755 5.68348 13.9101 5.92931 6.1886 12.8494 5.53324 4.002 4.19371 numMergedOcc 0
48 mol 194 unq 11 iso 0 dist 8.2654 12.8755 5.68348 13.9101 5.92931 6.1886 17.7772 11.4466 7.09553 9.71015 numMergedOcc 0
49 mol 225 unq 0 iso 0 dist 8.87609 5.76292 9.23935 10.8091 8.98957 8.37739 3.97158 7.8744 3.94409 6.94762 numMergedOcc 0
50 mol 225 unq 1 iso 0 dist 8.87609 5.76292 9.23935 10.8091 8.98957 8.37739 13.8739 12.6753 8.31193 9.89167 numMergedOcc 0
51 mol 225 unq 2 iso 0 dist 8.87609 8.21235 7.77552 10.8091 8.98957 9.47237 3.97158 7.8744 6.88465 6.94762 numMergedOcc 0
52 mol 225 unq 3 iso 0 dist 8.87609 8.21235 7.77552 10.8091 8.98957 9.47237 13.8739 12.6753 6.8122 9.89167 numMergedOcc 0
53 mol 232 unq 0 iso 0 dist 7.83711 4.9377 6.57921 9.05071 13.8622 9.8664 5.42461 10.7452 4.68548 6.59036 numMergedOcc 0
