0 mol 7 unq 0 iso 0 dist 5.72491 8.72114 10.1959 6.34041 11.024 6.14469 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 7.05346 7.32257 8.88528 8.50424 8.076 7.35972 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.78006 9.62394 7.28672 16.147 10.7921 7.35972 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 9.78006 9.62394 7.28672 19.4709 14.8012 9.93542 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 7.9944 6.55811 4.58685 6.02809 6.32226 7.35972 numMergedOcc 0
5 mol 9 unq 4 iso 0 dist 7.9944 7.36018 5.83039 6.02809 6.32226 9.93542 numMergedOcc 0
6 mol 9 unq 5 iso 0 dist 7.032 8.64915 4.58685 4.98827 6.32226 7.35972 numMergedOcc 0
7 mol 9 unq 6 iso 0 dist 7.032 8.17347 5.83039 4.98827 6.32226 9.93542 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 6.92532 7.75618 13.9675 4.97119 6.39966 9.95212 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 4.32034 9.69752 8.00171 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 6.60423 9.41441 11.9395 12.2662 16.6617 5.95834 numMergedOcc 0
11 mol 24 unq 2 iso 0 dist 6.60423 9.41441 11.9395 8.67951 12.7806 4.2121 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 6.60423 9.41441 11.9395 8.52463 9.36461 6.72323 numMergedOcc 0
13 mol 24 unq 4 iso 0 dist 6.72502 8.60554 6.99746 14.012 11.5841 6.72323 numMergedOcc 0
14 mol 24 unq 5 iso 0 dist 4.93188 6.73939 10.0715 6.56748 11.4664 5.95834 numMergedOcc 0
15 mol 24 unq 6 iso 0 dist 4.93188 6.73939 10.0715 4.50066 8.78859 4.2121 numMergedOcc 0
16 mol 24 unq 7 iso 0 dist 4.93188 6.73939 10.0715 11.9112 14.7684 8.00171 numMergedOcc 0
17 mol 24 unq 8 iso 0 dist 4.93188 6.73939 10.0715 5.11617 4.90592 6.72323 numMergedOcc 0
18 mol 25 unq 0 iso 0 dist 6.90155 6.16347 11.0508 6.08585 12.7162 6.25843 numMergedOcc 0
19 mol 25 unq 1 iso 0 dist 6.6492 7.45383 11.7817 5.77929 11.4352 6.25843 numMergedOcc 0
20 mol 25 unq 2 iso 0 dist 6.6492 9.01548 9.12941 5.77929 11.4352 8.88938 numMergedOcc 0
21 mol 26 unq 0 iso 0 dist 8.6385 7.36856 5.30297 5.81765 10.9962 6.93197 numMergedOcc 0
22 mol 44 unq 0 iso 0 dist 7.52117 9.6782 5.1728 4.55437 7.03307 7.48846 numMergedOcc 0
23 mol 60 unq 0 iso 0 dist 7.55695 9.90939 4.82351 5.94827 4.65127 8.97364 numMergedOcc 0
24 mol 65 unq 0 iso 0 dist 9.14931 6.72639 9.35965 5.51708 11.606 5.94206 numMergedOcc 0
25 mol 65 unq 1 iso 0 dist 8.37515 6.76508 7.18126 6.47381 11.2032 5.94206 numMergedOcc 0
26 mol 92 unq 0 iso 0 dist 8.65802 7.52354 5.8102 14.3301 10.9559 9.91054 numMergedOcc 0
27 mol 98 unq 0 iso 0 dist 7.26086 6.65501 11.2092 7.06961 8.43352 6.88901 numMergedOcc 0
28 mol 98 unq 1 iso 0 dist 5.88354 5.59328 8.53212 4.67519 6.62972 7.14031 numMergedOcc 0
29 mol 98 unq 2 iso 0 dist 5.74854 7.5242 8.53212 10.4027 6.62972 7.14031 numMergedOcc 0
30 mol 119 unq 0 iso 0 dist 6.98934 8.99399 8.28905 7.45148 11.9591 7.20249 numMergedOcc 0
31 mol 119 unq 1 iso 0 dist 7.99623 8.99399 4.99495 7.45148 9.9151 7.20249 numMergedOcc 0
32 mol 129 unq 0 iso 0 dist 8.03372 9.36851 6.84211 4.55551 9.94578 9.73158 numMergedOcc 0
33 mol 129 unq 1 iso 0 dist 8.03372 4.97175 4.53459 4.55551 9.94578 7.59327 numMergedOcc 0
34 mol 133 unq 0 iso 0 dist 6.76699 6.16242 9.34112 12.131 13.4305 8.95662 numMergedOcc 0
35 mol 134 unq 0 iso 0 dist 5.53031 7.80532 8.98004 5.71679 10.0154 6.40575 numMergedOcc 0
36 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 9.74444 12.165 9.10042 numMergedOcc 0
37 mol 141 unq 1 iso 0 dist 7.86572 9.97343 5.38571 6.91919 10.7655 9.75059 numMergedOcc 0
38 mol 141 unq 2 iso 0 dist 7.86572 9.97343 5.38571 10.1432 4.46777 6.83404 numMergedOcc 0
39 mol 156 unq 0 iso 0 dist 7.73169 7.30357 8.40261 5.81563 12.9107 8.21184 numMergedOcc 0
40 mol 156 unq 1 iso 0 dist 7.73169 7.30357 8.40261 5.52796 10.6978 5.41575 numMergedOcc 0
41 mol 156 unq 2 iso 0 dist 7.73169 8.61587 12.8796 5.81563 12.9107 5.9976 numMergedOcc 0
42 mol 156 unq 3 iso 0 dist 7.73169 8.61587 12.8796 5.52796 10.6978 6.86566 numMergedOcc 0
43 mol 156 unq 4 iso 0 dist 5.38091 7.30357 12.4049 5.81563 7.46845 8.21184 numMergedOcc 0
44 mol 156 unq 5 iso 0 dist 5.38091 7.30357 12.4049 5.52796 9.59889 5.41575 numMergedOcc 0
45 mol 156 unq 6 iso 0 dist 5.38091 8.61587 11.7015 5.81563 7.46845 5.9976 numMergedOcc 0
46 mol 156 unq 7 iso 0 dist 5.38091 8.61587 11.7015 5.52796 9.59889 6.86566 numMergedOcc 0
47 mol 162 unq 0 iso 0 dist 8.00506 6.45896 4.56165 4.38317 10.5082 9.7361 numMergedOcc 0
48 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 5.48551 10.352 7.22518 numMergedOcc 0
49 mol 171 unq 1 iso 0 dist 7.71426 5.93786 6.29877 7.9651 11.4752 5.25109 numMergedOcc 0
50 mol 171 unq 2 iso 0 dist 7.71426 8.1344 5.90358 5.48551 10.352 7.58499 numMergedOcc 0
51 mol 171 unq 3 iso 0 dist 7.71426 8.1344 5.90358 7.9651 11.4752 8.21618 numMergedOcc 0
52 mol 171 unq 4 iso 0 dist 5.10618 8.24693 6.29877 8.05069 10.352 7.22518 numMergedOcc 0
53 mol 171 unq 5 iso 0 dist 5.10618 8.24693 6.29877 12.6853 11.4752 5.25109 numMergedOcc 0
54 mol 171 unq 6 iso 0 dist 5.10618 6.71356 5.90358 8.05069 10.352 7.58499 numMergedOcc 0
55 mol 171 unq 7 iso 0 dist 5.10618 6.71356 5.90358 12.6853 11.4752 8.21618 numMergedOcc 0
56 mol 192 unq 0 iso 0 dist 7.24199 8.77999 3.86183 12.717 10.3117 6.60053 numMergedOcc 0
57 mol 192 unq 1 iso 0 dist 7.24199 8.77999 3.86183 14.8459 12.6156 9.36796 numMergedOcc 0
58 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 11.6598 5.68348 6.1886 numMergedOcc 0
59 mol 194 unq 1 iso 0 dist 8.83356 6.72379 7.50057 7.11753 5.68348 6.38324 numMergedOcc 0
60 mol 232 unq 0 iso 0 dist 7.83711 9.05071 13.8622 4.9377 6.57921 9.8664 numMergedOcc 0
61 mol 235 unq 0 iso 0 dist 6.39158 6.36341 7.85398 5.5163 11.4177 6.94789 numMergedOcc 0
62 mol 238 unq 0 iso 0 dist 6.66971 8.69104 10.2777 8.1195 13.0636 5.92374 numMergedOcc 0
63 mol 274 unq 0 iso 0 dist 9.56685 9.85289 5.36428 5.29529 8.2997 6.88827 numMergedOcc 0
64 mol 274 unq 1 iso 0 dist 8.49922 9.85289 11.9754 5.29529 10.4781 6.88827 numMergedOcc 0
