0 mol 7 unq 0 iso 0 dist 5.72491 8.72114 10.1959 12.2041 7.88043 10.3148 6.34041 11.024 6.14469 14.7759 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 7.9944 6.55811 4.58685 5.06358 7.032 8.64915 6.02809 6.32226 7.35972 4.98827 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.9944 7.36018 5.83039 5.06358 7.032 8.17347 6.02809 6.32226 9.93542 4.98827 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 7.032 8.64915 4.58685 5.06358 7.9944 6.55811 4.98827 6.32226 7.35972 6.02809 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 7.032 8.17347 5.83039 5.06358 7.9944 7.36018 4.98827 6.32226 9.93542 6.02809 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 6.92532 7.75618 13.9675 10.8007 7.48847 15.4288 4.97119 6.39966 9.95212 6.42867 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 6.92532 7.75618 13.9675 5.03957 6.36455 12.3215 4.97119 6.39966 9.95212 6.01808 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 7.05502 7.83786 16.0926 4.32034 9.69752 8.00171 9.6469 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 6.60423 9.41441 11.9395 7.05502 7.83786 16.0926 12.2662 16.6617 5.95834 19.1915 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 6.60423 9.41441 11.9395 7.05502 7.83786 16.0926 8.67951 12.7806 4.2121 15.7301 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 6.60423 9.41441 11.9395 7.05502 7.83786 16.0926 8.52463 9.36461 6.72323 14.6654 numMergedOcc 0
11 mol 24 unq 4 iso 0 dist 4.93188 6.73939 10.0715 12.3067 9.24958 18.673 6.56748 11.4664 5.95834 18.1606 numMergedOcc 0
12 mol 24 unq 5 iso 0 dist 4.93188 6.73939 10.0715 12.3067 9.24958 18.673 4.50066 8.78859 4.2121 16.0443 numMergedOcc 0
13 mol 24 unq 6 iso 0 dist 4.93188 6.73939 10.0715 12.3067 9.24958 18.673 11.9112 14.7684 8.00171 21.6951 numMergedOcc 0
14 mol 24 unq 7 iso 0 dist 4.93188 6.73939 10.0715 12.3067 9.24958 18.673 5.11617 4.90592 6.72323 13.2229 numMergedOcc 0
15 mol 25 unq 0 iso 0 dist 6.90155 6.16347 11.0508 10.6808 5.81959 16.0183 6.08585 12.7162 6.25843 16.3984 numMergedOcc 0
16 mol 26 unq 0 iso 0 dist 8.6385 7.36856 5.30297 9.78225 5.69955 10.177 5.81765 10.9962 6.93197 14.3641 numMergedOcc 0
17 mol 60 unq 0 iso 0 dist 7.55695 9.90939 4.82351 7.29309 9.96399 10.5084 5.94827 4.65127 8.97364 11.2415 numMergedOcc 0
18 mol 60 unq 1 iso 0 dist 7.55695 9.90939 4.82351 5.00018 8.82176 11.6165 5.94827 4.65127 8.97364 5.32257 numMergedOcc 0
19 mol 65 unq 0 iso 0 dist 8.37515 6.76508 7.18126 10.2941 5.69971 11.5413 6.47381 11.2032 5.94206 15.3084 numMergedOcc 0
20 mol 65 unq 1 iso 0 dist 8.37515 6.76508 7.18126 8.06868 9.83239 13.2643 6.47381 11.2032 5.94206 13.1533 numMergedOcc 0
21 mol 98 unq 0 iso 0 dist 5.88354 5.59328 8.53212 4.50554 7.89665 10.0186 4.67519 6.62972 7.14031 6.6076 numMergedOcc 0
22 mol 98 unq 1 iso 0 dist 5.88354 5.59328 8.53212 7.40461 5.39354 10.3766 4.67519 6.62972 7.14031 10.6513 numMergedOcc 0
23 mol 98 unq 2 iso 0 dist 5.88354 5.59328 8.53212 7.72877 5.74854 7.5242 4.67519 6.62972 7.14031 10.4027 numMergedOcc 0
24 mol 98 unq 3 iso 0 dist 5.88354 5.59328 8.53212 10.51 8.76566 15.4911 4.67519 6.62972 7.14031 12.3568 numMergedOcc 0
25 mol 98 unq 4 iso 0 dist 5.88354 5.59328 8.53212 13.5683 8.8368 17.0991 4.67519 6.62972 7.14031 14.5457 numMergedOcc 0
26 mol 98 unq 5 iso 0 dist 5.74854 7.5242 8.53212 7.72877 5.88354 5.59328 10.4027 6.62972 7.14031 4.67519 numMergedOcc 0
27 mol 98 unq 6 iso 0 dist 5.74854 7.5242 8.53212 11.0242 7.89665 10.0186 10.4027 6.62972 7.14031 6.6076 numMergedOcc 0
28 mol 98 unq 7 iso 0 dist 5.74854 7.5242 8.53212 5.09649 5.39354 10.3766 10.4027 6.62972 7.14031 10.6513 numMergedOcc 0
29 mol 98 unq 8 iso 0 dist 5.74854 7.5242 8.53212 11.9511 8.76566 15.4911 10.4027 6.62972 7.14031 12.3568 numMergedOcc 0
30 mol 98 unq 9 iso 0 dist 5.74854 7.5242 8.53212 11.569 8.8368 17.0991 10.4027 6.62972 7.14031 14.5457 numMergedOcc 0
31 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 6.21253 6.69515 11.0743 9.74444 12.165 9.10042 14.8238 numMergedOcc 0
32 mol 141 unq 1 iso 0 dist 7.86572 9.97343 5.38571 6.21253 6.69515 11.0743 6.91919 10.7655 9.75059 12.6409 numMergedOcc 0
33 mol 141 unq 2 iso 0 dist 7.86572 9.97343 5.38571 6.21253 6.69515 11.0743 10.1432 4.46777 6.83404 10.1386 numMergedOcc 0
34 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 7.31409 5.10618 8.24693 5.48551 10.352 7.22518 8.05069 numMergedOcc 0
35 mol 171 unq 1 iso 0 dist 7.71426 5.93786 6.29877 7.31409 5.10618 8.24693 7.9651 11.4752 5.25109 12.6853 numMergedOcc 0
36 mol 171 unq 2 iso 0 dist 7.71426 5.93786 6.29877 13.6814 9.86681 13.8551 5.48551 10.352 7.22518 18.5224 numMergedOcc 0
37 mol 171 unq 3 iso 0 dist 7.71426 5.93786 6.29877 13.6814 9.86681 13.8551 7.9651 11.4752 5.25109 17.7639 numMergedOcc 0
38 mol 171 unq 4 iso 0 dist 7.71426 8.1344 5.90358 7.31409 5.10618 6.71356 5.48551 10.352 7.58499 8.05069 numMergedOcc 0
39 mol 171 unq 5 iso 0 dist 7.71426 8.1344 5.90358 7.31409 5.10618 6.71356 7.9651 11.4752 8.21618 12.6853 numMergedOcc 0
40 mol 171 unq 6 iso 0 dist 7.71426 8.1344 5.90358 13.6814 9.86681 15.2816 5.48551 10.352 7.58499 18.5224 numMergedOcc 0
41 mol 171 unq 7 iso 0 dist 7.71426 8.1344 5.90358 13.6814 9.86681 15.2816 7.9651 11.4752 8.21618 17.7639 numMergedOcc 0
42 mol 171 unq 8 iso 0 dist 5.10618 8.24693 6.29877 7.31409 7.71426 5.93786 8.05069 10.352 7.22518 5.48551 numMergedOcc 0
43 mol 171 unq 9 iso 0 dist 5.10618 8.24693 6.29877 7.31409 7.71426 5.93786 12.6853 11.4752 5.25109 7.9651 numMergedOcc 0
44 mol 171 unq 10 iso 0 dist 5.10618 8.24693 6.29877 13.7214 9.86681 13.8551 8.05069 10.352 7.22518 18.5224 numMergedOcc 0
45 mol 171 unq 11 iso 0 dist 5.10618 8.24693 6.29877 13.7214 9.86681 13.8551 12.6853 11.4752 5.25109 17.7639 numMergedOcc 0
46 mol 171 unq 12 iso 0 dist 5.10618 6.71356 5.90358 7.31409 7.71426 8.1344 8.05069 10.352 7.58499 5.48551 numMergedOcc 0
47 mol 171 unq 13 iso 0 dist 5.10618 6.71356 5.90358 7.31409 7.71426 8.1344 12.6853 11.4752 8.21618 7.9651 numMergedOcc 0
48 mol 171 unq 14 iso 0 dist 5.10618 6.71356 5.90358 13.7214 9.86681 15.2816 8.05069 10.352 7.58499 18.5224 numMergedOcc 0
49 mol 171 unq 15 iso 0 dist 5.10618 6.71356 5.90358 13.7214 9.86681 15.2816 12.6853 11.4752 8.21618 17.7639 numMergedOcc 0
50 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 8.0179 8.12346 12.0009 11.6598 5.68348 6.1886 12.0887 numMergedOcc 0
51 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 14.6506 8.83356 12.645 11.6598 5.68348 6.1886 7.11753 numMergedOcc 0
52 mol 194 unq 2 iso 0 dist 6.26839 8.65535 5.92931 8.48054 8.2654 13.9101 11.6598 5.68348 6.1886 12.8755 numMergedOcc 0
53 mol 194 unq 3 iso 0 dist 8.83356 6.72379 7.50057 14.6506 6.26839 12.4952 7.11753 5.68348 6.38324 11.6598 numMergedOcc 0
54 mol 194 unq 4 iso 0 dist 8.83356 6.72379 7.50057 13.5632 8.12346 15.1649 7.11753 5.68348 6.38324 12.0887 numMergedOcc 0
55 mol 194 unq 5 iso 0 dist 8.83356 6.72379 7.50057 11.6097 8.2654 13.2138 7.11753 5.68348 6.38324 12.8755 numMergedOcc 0
56 mol 235 unq 0 iso 0 dist 6.39158 6.36341 7.85398 12.1984 7.75722 12.0305 5.5163 11.4177 6.94789 16.4833 numMergedOcc 0
57 mol 238 unq 0 iso 0 dist 6.66971 8.69104 10.2777 5.40359 6.4398 13.492 8.1195 13.0636 5.92374 13.49 numMergedOcc 0
58 mol 238 unq 1 iso 0 dist 6.66971 8.69104 10.2777 10.0191 7.32982 12.9364 8.1195 13.0636 5.92374 15.0391 numMergedOcc 0
